SCHEMBL9636041

SCHEMBL9636041

C=CCSc1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE5A O76074 4/20 0.43
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 7/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.37
LDHA P00338 1/20 0.37
EPHX2 P34913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
METAP2 P50579 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
RAB9A P51151 4/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 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
SCHEMBL10737369 0.85 MEN1 (0.44) MEN1KMT2APDE5AKDM4EALDH1A1
SCHEMBL9635663 0.84 PDE5A (0.46) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9634585 0.84 PDE5A (0.61) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635775 0.84 KDM4E (0.53) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635740 0.81 KDM4E (0.56) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635919 0.81 KDM4E (0.42) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9634681 0.80 KMT2A (0.46) KMT2APDE5AKDM4EALDH1A1NPC1
SCHEMBL7270979 0.79 ALOX5 (0.51) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL10845977 0.78 PDE5A (0.50) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635746 0.78 ALDH1A1 (0.44) MEN1KMT2AKDM4EALDH1A1NPC1

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