SCHEMBL7279872

SCHEMBL7279872

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE5A O76074 7/20 0.45
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE2A O00408 1/20 0.41

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
SCHEMBL7281375 0.93 PDE5A (0.51) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL7272286 0.93 PDE2A (0.50) CBFBLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL9634798 0.91 PDE5A (0.47) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9634828 0.91 PDE5A (0.45) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9634582 0.90 PDE5A (0.40) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9635794 0.90 PDE5A (0.40) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9634764 0.90 CBFB (0.41) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9636211 0.90 PDE5A (0.40) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9634624 0.90 CBFB (0.41) CBFBLMNATP53SMN1; SMN2KDM4E
SCHEMBL9636094 0.90 CBFB (0.41) CBFBLMNATP53SMN1; SMN2KDM4E

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 7 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-4904785-A INOTROPIC AGENTS FOR CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1990-02-27 US disclosed
US-4758574-A 2-phenylimidazio (4,5-c) pyridines ELI LILLY AND COMPANY (US) 1988-07-19 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-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed