SCHEMBL9635692

SCHEMBL9635692

C[S+]([O-])c1cc(OCC#N)ccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
PDE2A O00408 1/20 0.31
CBFB Q13951 1/20 0.31
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9634561 0.90 TOP1 (0.36) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL10736632 0.88 PDE5A (0.32) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9634765 0.88 CBFB (0.42) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9634527 0.85 PDE5A (0.39) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9636145 0.85 PDE5A (0.47) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9635768 0.84 PDE5A (0.44) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9635661 0.84 PDE5A (0.37) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9635039 0.84 MAOA (0.37) PDE5APDE3BPDE3AKDM4EALDH1A1
SCHEMBL9636211 0.84 PDE5A (0.40) PDE5APDE3BPDE3APDE10AKDM4E
SCHEMBL9635887 0.83 AMY1A (0.38) PDE5APDE3BPDE3APDE10AKDM4E

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