SCHEMBL9635757

SCHEMBL9635757

CC[S+]([O-])c1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LDHA P00338 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 3/20 0.40
STAT1 P42224 1/20 0.40
NPY5R Q15761 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9636465 0.91 KDM4E (0.42) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL9635824 0.86 KDM4E (0.45) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL9636140 0.86 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL9634603 0.86 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL10851426 0.85 KDM4E (0.44) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL10742006 0.85 CYP1A2 (0.40) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL9634393 0.85 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL9636133 0.85 KDM4E (0.40) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL9634311 0.85 AURKA (0.45) KDM4ELDHAEPHX2ALDH1A1HPGD
SCHEMBL9634580 0.84 KDM4E (0.43) KDM4ELDHAEPHX2ALDH1A1HPGD

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