SCHEMBL9634765

SCHEMBL9634765

CCOc1ccc(-c2nc3cnccc3[nH]2)c([S+](C)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 7/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL9635768 0.88 PDE5A (0.44) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL9634561 0.88 TOP1 (0.36) CBFBNPC1HPGDRAB9AMAPT
SCHEMBL9635039 0.88 MAOA (0.37) CBFBNPC1HPGDRAB9AMAPT
SCHEMBL9635692 0.88 PDE5A (0.35) CBFBNPC1HPGDRAB9AMAPT
Hydrochloric Acid SCHEMBL10847534 0.87 PDE5A (0.46) NPC1HPGDRAB9AKDM4EALDH1A1
SCHEMBL7279872 0.85 CBFB (0.46) CBFBNPC1HPGDRAB9AMAPT
SCHEMBL7281375 0.83 PDE5A (0.51) CBFBNPC1HPGDRAB9AMAPT
SCHEMBL9634973 0.83 CBFB (0.46) CBFBNPC1HPGDRAB9AMAPT
SCHEMBL9636112 0.83 PDE5A (0.41) CBFBHPGDKDM4EALDH1A1PDE5A
SCHEMBL9634671 0.82 PDE5A (0.39) NPC1HPGDRAB9AMAPTKDM4E

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