SCHEMBL9634834

SCHEMBL9634834

C#CCOc1ccc(-c2nc3cnccc3[nH]2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
TOP1 P11387 1/20 0.39
TOP2A P11388 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
GUSB P08236 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 2/20 0.36
PARP1 P09874 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPSE Q9Y251 1/20 0.35
LDHA P00338 1/20 0.34

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
SCHEMBL9634508 0.86 KDM4E (0.60) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9634345 0.86 KDM4E (0.60) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9636115 0.85 MAOB (0.48) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9634280 0.85 MAOB (0.48) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9635537 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9636316 0.81 CYP1A1 (0.55) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9634554 0.80 CDK4 (0.40) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9634643 0.80 MAOB (0.49) ALDH1A1KDM4EHPGDTOP1TOP2A
SCHEMBL9634352 0.79 AURKA (0.48) MGAMGAASIMGAM2PARP1
SCHEMBL9635821 0.79 CYP1A1 (0.38) KDM4ETOP1TOP2AMGAMGAA

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