SCHEMBL3411535

SCHEMBL3411535

c1ccc(CONC2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
EPHX2 P34913 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
FOXM1 Q08050 1/20 0.46
EPHX1 P07099 2/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4480785 0.98 EPHX2 (0.49) KMT2AALDH1A1MEN1EPHX2SGMS2
SCHEMBL28524004 0.96 ALDH1A1 (0.43) KMT2AALDH1A1MEN1EPHX2SGMS2
SCHEMBL17916423 0.84 KDM1A (0.49) ALDH1A1TSHR
SCHEMBL28527816 0.84 ALDH1A1 (0.43) KMT2AALDH1A1MEN1EPHX2SGMS2
SCHEMBL20936679 0.82 MAOB (0.47) KMT2AALDH1A1MEN1
SCHEMBL30733533 0.82 MAOB (0.47) KMT2AALDH1A1MEN1
SCHEMBL994856 0.82 MAOB (0.47) KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL994709 0.81 MAOB (0.46) KMT2AALDH1A1MEN1
SCHEMBL24067279 0.80 ALDH1A1 (0.39) KMT2AALDH1A1MEN1SGMS2FOXM1
SCHEMBL21903015 0.80 KMT2A (0.36) KMT2AALDH1A1MEN1SGMS2FOXM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112390755-B Heteroaryl method for amine 中国科学院理化技术研究所 2024-08-02 CN disclosed
CN-112390755-A Method for heteroarylation of amine 中国科学院理化技术研究所 2021-02-23 CN disclosed
EP-2259790-A1 ABCA-1 ELEVATING COMPOUNDS AND THE USE THEREOF Gilead Palo Alto, Inc. (US) 2010-12-15 EP disclosed
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2009100326-A1 ABCA-1 ELEVATING COMPOUNDS AND THE USE THEREOF CV THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
EP-1789431-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2007-05-30 EP disclosed
EP-1768991-A1 PROCESS FOR THE PREPARATION OF A1-ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2007-04-04 EP disclosed
WO-2006026651-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2006-03-09 WO disclosed
WO-2006017052-A1 PROCESS FOR THE PREPARATION OF A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-02-16 WO disclosed
EP-1334087-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-08-13 EP disclosed
WO-2002032858-A1 CYCLOALKYLFLUOROSULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-04-25 WO disclosed