SCHEMBL9635663

SCHEMBL9635663

OCCSc1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.46
EPHX2 P34913 2/20 0.44
ADORA3 P0DMS8 1/20 0.40
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 8/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
METAP2 P50579 2/20 0.39
METAP1 P53582 1/20 0.39
LDHA P00338 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
MAPK1 P28482 1/20 0.37
CLK1 P49759 1/20 0.37

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
SCHEMBL9634585 0.88 PDE5A (0.61) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL9635775 0.85 KDM4E (0.53) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL9636041 0.84 MEN1 (0.45) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL9634681 0.83 KMT2A (0.46) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635919 0.81 KDM4E (0.42) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL9635740 0.81 KDM4E (0.56) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL7270979 0.80 ALOX5 (0.51) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL9636078 0.79 ALDH1A1 (0.61) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL10845977 0.79 PDE5A (0.50) PDE5AEPHX2ADORA3KDM4EALDH1A1
SCHEMBL9635651 0.78 ALDH1A1 (0.53) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2

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