SCHEMBL9635693

SCHEMBL9635693

C=CC[S+]([O-])c1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 6/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKN1 Q16512 2/20 0.40
PKN2 Q16513 2/20 0.40
AURKA O14965 1/20 0.40
HPSE Q9Y251 1/20 0.38
LDHA P00338 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4C Q9H3R0 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL9636133 0.86 KDM4E (0.40) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL10741861 0.85 ALDH1A1 (0.35) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9634311 0.84 AURKA (0.45) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9634988 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9635662 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9634404 0.81 AURKA (0.43) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9634512 0.81 KDM4E (0.42) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9634362 0.80 HPSE (0.44) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL9634484 0.80 PDE5A (0.45) ALDH1A1KDM4EHPGDAURKAHPSE
SCHEMBL7272368 0.79 AURKA (0.48) ALDH1A1KDM4ENPC1HPGDRAB9A

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