SCHEMBL9673277

SCHEMBL9673277

c1ccc(COCc2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL493397 0.89 HRH1 (0.52) ABCB1HTR1ADRD2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL27710379 0.87 SMN1; SMN2 (0.50) ABCB1HTR1ADRD2ALDH1A1KDM4E
SCHEMBL7549367 0.85 L3MBTL1 (0.49) TSHRABCB1HTR1ADRD2MEN1
SCHEMBL6489770 0.85 L3MBTL1 (0.62) TSHRABCB1HTR1ADRD2ALDH1A1
SCHEMBL27683139 0.84 RXRA (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
Trifluoromethanesulfonic Acid SCHEMBL15757252 0.83 LMNA (0.42) TSHRABCB1HTR1ADRD2ALDH1A1
SCHEMBL19951053 0.83 ABCB1 (0.50) TSHRABCB1HTR1ADRD2ALDH1A1
Piconol SCHEMBL7154408 0.83 TSHR (0.48) TSHRABCB1HTR1ADRD2ALDH1A1
SCHEMBL6088545 0.83 DRD2 (0.43) TSHRABCB1HTR1ADRD2ALDH1A1
SCHEMBL28418292 0.81 MAOB (0.50) ALDH1A1KMT2AKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP claimed
CN-103923238-B Catalytic component and catalyst for olefinic polymerization 北京利和知信科技有限公司 2018-03-02 CN disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
EP-0120670-B1 IRON III COMPLEXES OF HYDROXYPYRIDONES, AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-12-21 EP disclosed
EP-0264114-A1 Alpha-[(phenylmethoxy)methyl]pyridine-alkanol derivatives G.D. Searle & Co. (US) 1988-04-20 EP disclosed