SCHEMBL9634404

SCHEMBL9634404

CCC[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
HPSE Q9Y251 1/20 0.38
LDHA P00338 1/20 0.38
EPHX2 P34913 1/20 0.38
SCD O00767 1/20 0.38
NPBWR1 P48145 2/20 0.37
NPY5R Q15761 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9634311 0.90 AURKA (0.45) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9635662 0.88 ALDH1A1 (0.46) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9636465 0.86 KDM4E (0.42) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL10738000 0.85 NPBWR1 (0.39) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL7272368 0.83 AURKA (0.48) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9634988 0.82 ALDH1A1 (0.43) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9635693 0.81 ALDH1A1 (0.42) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9634512 0.81 KDM4E (0.42) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9634362 0.81 HPSE (0.44) AURKAALDH1A1KDM4EHPGDPKM
SCHEMBL9634355 0.80 PKN1 (0.46) AURKAALDH1A1KDM4EHPGDPKM

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