SCHEMBL9634802

SCHEMBL9634802

Sc1ccc(-c2nc3cnccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 7/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 2/20 0.54
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
AURKA O14965 1/20 0.50
LDHA P00338 1/20 0.47
EPHX2 P34913 1/20 0.47
HPSE Q9Y251 1/20 0.47
KDM4C Q9H3R0 1/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL11228706 0.86 ALDH1A1 (0.68) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7278387 0.83 ALDH1A1 (0.77) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL10852378 0.83 NPC1 (0.61) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL23753448 0.83 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7271262 0.83 ALDH1A1 (0.54) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL23132042 0.83 ALDH1A1 (0.54) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL6258260 0.83 ALDH1A1 (0.63) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL7127398 0.83 NPC1 (0.65) KDM4EALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL7271935 0.82 ALDH1A1 (0.74) KDM4EALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL7280780 0.82 NPC1 (0.56) KDM4EALDH1A1NPC1RAB9AHPGD

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 3 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