SCHEMBL9634582

SCHEMBL9634582

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.40
TOP1 P11387 1/20 0.39
TOP2A P11388 1/20 0.39
CBFB Q13951 1/20 0.39
MELK Q14680 1/20 0.39
MAOB P27338 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9634624 0.96 CBFB (0.41) PDE5ATOP1TOP2ACBFBMELK
SCHEMBL9634591 0.94 TOP1 (0.40) PDE5ATOP1TOP2AMAOBPDE3B
SCHEMBL9636217 0.92 MAOB (0.41) PDE5ATOP1TOP2ACBFBMELK
SCHEMBL9634540 0.91 PDE5A (0.47) PDE5ATOP1TOP2AMELKMAOB
SCHEMBL7279872 0.90 CBFB (0.46) PDE5ACBFBKDM4ENPC1USP2
SCHEMBL9636211 0.90 PDE5A (0.40) PDE5ACBFBMELKKDM4ENPC1
SCHEMBL9635731 0.89 TOP1 (0.37) PDE5ATOP1TOP2AMAOBKDM4E
SCHEMBL9634126 0.89 TOP1 (0.37) PDE5ATOP1TOP2AMAOBKDM4E
SCHEMBL9634736 0.88 PDE2A (0.47) PDE5ATOP1TOP2AKDM4ENPC1
SCHEMBL9634942 0.88 PDE3B (0.41) PDE5ATOP1TOP2AKDM4ENPC1

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