SCHEMBL9636094

SCHEMBL9636094

CCOc1ccc(-c2nc3cnccc3[nH]2)c(OCC#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 7/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 2/20 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
SCHEMBL9636211 0.96 PDE5A (0.40) CBFBNPC1RAB9AALDH1A1HPGD
SCHEMBL9634527 0.94 PDE5A (0.39) CBFBNPC1RAB9AALDH1A1HPGD
SCHEMBL9636160 0.91 PDE2A (0.47) NPC1RAB9AALDH1A1HPGDKDM4E
SCHEMBL7279872 0.90 CBFB (0.46) CBFBNPC1RAB9AALDH1A1HPGD
SCHEMBL9634624 0.90 CBFB (0.41) CBFBNPC1RAB9AALDH1A1HPGD
SCHEMBL9634126 0.89 TOP1 (0.37) ALDH1A1KDM4ETP53PDE5APDE3B
SCHEMBL9635731 0.89 TOP1 (0.37) ALDH1A1KDM4ETP53PDE5APDE3B
SCHEMBL9636145 0.88 PDE5A (0.47) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL9635840 0.88 PDE5A (0.39) ALDH1A1HPGDKDM4ETP53PDE5A
SCHEMBL10742313 0.87 ALDH1A1 (0.42) CBFBNPC1RAB9AALDH1A1HPGD

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 2 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