SCHEMBL9635698

SCHEMBL9635698

CSc1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
IDO1 P14902 1/20 0.49
KDM4E B2RXH2 6/20 0.47
LDHA P00338 1/20 0.47
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
STAT1 P42224 1/20 0.45
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Hydrochloric Acid SCHEMBL10844985 0.99 ALOX5 (0.53) ALOX5IDO1KDM4ELDHAEPHX2
SCHEMBL10961718 0.86 ALDH1A1 (0.45) ALOX5KDM4ELDHAEPHX2ALDH1A1
SCHEMBL9634856 0.86 KDM4E (0.44) ALOX5KDM4ELDHAEPHX2ALDH1A1
SCHEMBL9634555 0.84 KDM4E (0.42) ALOX5KDM4ELDHAEPHX2ALDH1A1
SCHEMBL10734279 0.83 ALOX5 (0.47) ALOX5IDO1KDM4EALDH1A1HPGD
SCHEMBL7272011 0.83 ALOX5 (0.51) ALOX5KDM4ELDHAEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL10850991 0.82 ALOX5 (0.50) ALOX5KDM4ELDHAEPHX2ALDH1A1
SCHEMBL7279556 0.82 NPC1 (0.52) KDM4ELDHAEPHX2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7271663 0.82 ALOX5 (0.50) ALOX5KDM4ELDHAEPHX2ALDH1A1
SCHEMBL9635805 0.81 KDM4E (0.42) ALOX5KDM4ELDHAEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104881-A 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-14 US disclosed
US-4616090-A 2-arylimidazopyridines intermediates MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-07 US disclosed
EP-0072926-B1 2-ARYLIMIDAZOPYRIDINES MERCK PATENT GmbH (DE) 1986-09-24 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed