SCHEMBL9636239

SCHEMBL9636239

CCOc1ccc(-c2nc3cnccc3[nH]2)c(SC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.44
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE5A O76074 5/20 0.38
SLC22A12 Q96S37 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL9635793 0.87 ACHE (0.45) HPGDNPC1RAB9AKDM4ELMNA
SCHEMBL9636150 0.87 TOP1 (0.38) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL9634525 0.87 KDM4E (0.35) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL9636522 0.87 MAOA (0.38) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL10738584 0.86 NPC1 (0.45) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL9634973 0.85 CBFB (0.46) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL7279872 0.85 CBFB (0.46) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL7281375 0.83 PDE5A (0.51) CBFBHPGDNPC1RAB9AKDM4E
SCHEMBL7272073 0.81 KDM4E (0.39) HPGDNPC1RAB9AKDM4EALDH1A1
SCHEMBL9634765 0.80 CBFB (0.42) CBFBHPGDNPC1RAB9AKDM4E

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