SCHEMBL7272224

SCHEMBL7272224

COc1ccc(SC)cc1-c1nc2cnccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
AMY1A P0DUB6 9/20 0.43
TEK Q02763 2/20 0.40
HPSE Q9Y251 1/20 0.39
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SLC2A1 P11166 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
SCHEMBL7271721 0.90 PDE5A (0.53) PDE5AKDM4EALDH1A1HPGDPDE3B
Hydrochloric Acid SCHEMBL7277930 0.89 PDE5A (0.53) PDE5AKDM4EALDH1A1HPGDPDE3B
Hydrochloric Acid SCHEMBL9838283 0.89 PDE5A (0.53) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL10743332 0.85 PDE5A (0.45) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL10417022 0.84 PDE5A (0.43) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7281035 0.84 PDE5A (0.55) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7279639 0.82 ALDH1A1 (0.40) PDE5AKDM4EALDH1A1HPGDPDE3B
Hydrochloric Acid SCHEMBL7272791 0.82 PDE5A (0.56) PDE5AKDM4EALDH1A1HPGDPDE3B
Hydrochloric Acid SCHEMBL10844959 0.82 PDE5A (0.56) PDE5AKDM4EALDH1A1HPGDPDE3B
SCHEMBL7272579 0.82 PDE5A (0.56) PDE5AKDM4EALDH1A1HPGDPDE3B

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 9 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
US-4603139-A 2-PHENYL-1H-IMIDAZOL(4,5-C)PYRIDINES, ANTICXOAGULANTS, CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. 1986-07-29 US disclosed
EP-0093593-A2 Pyridine compounds ELI LILLY AND COMPANY (US) 1983-11-09 EP disclosed
EP-0079083-A1 New imidazo[4,5-c]pyridine derivatives, processes for their preparation and pharmaceutical formulations containing such compounds MERCK PATENT GmbH (DE) 1983-05-18 EP disclosed
EP-0072926-A1 2-Arylimidazopyridines MERCK PATENT GmbH (DE) 1983-03-02 EP disclosed