SCHEMBL9634705

SCHEMBL9634705

CC[S+]([O-])c1ccccc1-c1nc2cnccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.44
▸ KDM4E B2RXH2 8/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ LDHA P00338 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ METAP2 P50579 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ GLA P06280 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
SCHEMBL9634861 0.90 PDE5A (0.44) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL7270724 0.86 PDE5A (0.50) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9636073 0.85 PDE5A (0.43) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9634414 0.85 PDE5A (0.40) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635097 0.84 KDM4E (0.41) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9636132 0.84 PDE5A (0.39) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9634872 0.83 KDM4E (0.41) PDE5AKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL9636242 0.83 KDM4E (0.41) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9635764 0.82 KDM4E (0.46) PDE5AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL9634311 0.77 AURKA (0.45) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A

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
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