SCHEMBL894805

SCHEMBL894805

O=Cc1ccccc1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.57
CYP2A6 P11509 4/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS2 P35354 1/20 0.49
CYP2E1 P05181 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP11B1 P15538 2/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B2 P19099 1/20 0.44
KCNA5 P22460 1/20 0.44
XDH P47989 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7101000 0.93 ERN1 (0.54) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
Pyrrole SCHEMBL28357672 0.91 ERN1 (0.49) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL30252276 0.85 ERN1 (0.57) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL14840485 0.85 ERN1 (0.57) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL6688459 0.83 CDK4 (0.47) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL11071868 0.83 ERN1 (0.51) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL10960411 0.81 CYP2A6 (0.50) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL612568 0.81 ERN1 (0.47) ERN1CYP2A6ALDH1A1XDHLMNA
SCHEMBL30302117 0.80 ERN1 (0.59) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1802008 0.80 ERN1 (0.59) ERN1CYP2A6CYP3A4ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187220-A Trifluoromethyl pyrimidine derivative containing Schiff base structural unit and preparation method and application thereof 郑州大学 2020-05-22 CN claimed
CN-110483507-A A kind of synthetic method of naphtho- [1 ', 2 ': 4,5] imidazo [1,2-a] pyridine compounds and their UNIV HENAN NORMAL 2019-11-22 CN claimed
CN-105017350-B A kind of glycosyl pyridine compounds and their and its preparation and application 杭州师范大学 2018-03-16 CN claimed
CN-105037352-A Synthetic method of 8-methoxyphenyl ketone imidazo[1,2a]pyridine-3-phenyl ketone SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-11-11 CN claimed
CN-105017350-A Sugar-based pyridine type compound as well as preparation method and application thereof UNIV HANGZHOU NORMAL 2015-11-04 CN claimed
CN-104910152-A 6-Bromo-8-methoxy-phenyl ketone imidazo [1,2a] pyridin-3-phenyl ketone synthetic method SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-09-16 CN claimed
CN-104844596-A Synthesis method for 6-bromoimidazo[1, 2-a]pyridine-3-phenyl ketone SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-08-19 CN claimed
CN-104844595-A Synthesis method for imidazo[1, 2-a]pyridine-3-phenyl ketone SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-08-19 CN claimed
CN-104829615-A Synthesis method for 6-fluoroimidazo[1, 2-a]pyridine-3-phenyl ketone SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-08-12 CN claimed
CN-104829617-A Synthesis method for 6-fluoroimidazo[1, 2-a]pyridine-3-carbonitrile SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-08-12 CN claimed
CN-104829616-A Synthesis method for 6-chloroimidazo[1, 2-a]pyridine-3-phenyl ketone SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD 2015-08-12 CN claimed
CN-103435609-A Copper-catalyzed synthetic method of imidazo[1,2-a]pyridine-3-formaldehyde compound UNIV NORTHEAST NORMAL 2013-12-11 CN claimed
CN-102153539-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP 2011-08-17 CN claimed
CN-115093410-B Preparation method of beta-carboline compound 南京工业大学 2023-09-26 CN disclosed
CN-111187220-B Trifluoromethyl pyrimidine derivative containing Schiff base structural unit and preparation method and application thereof 郑州大学 2022-08-02 CN disclosed
CN-113801033-B Synthesis method of 2-aminoindan or derivatives thereof 苏州欣诺科生物科技有限公司 2022-02-08 CN disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed
EP-0148826-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-07-24 EP disclosed
WO-1985000289-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH COMPANY (US) 1985-01-31 WO disclosed
US-4407806-A PRE- AND POSTEMERGENCE HERBICIDES CHEVRON RESEARCH COMPANY (US) 1983-10-04 US disclosed