SCHEMBL9635097

SCHEMBL9635097

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.41
▸ ALDH1A1 P00352 9/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PDE5A O76074 4/20 0.39
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ LDHA P00338 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PKN1 Q16512 1/20 0.35
▸ PKN2 Q16513 1/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL9634414 0.89 PDE5A (0.40) KDM4EALDH1A1TP53PDE5ANPC1
SCHEMBL10740157 0.86 ALDH1A1 (0.37) KDM4EALDH1A1TP53PDE5ANPC1
SCHEMBL9634705 0.84 PDE5A (0.44) KDM4EALDH1A1PDE5ANPC1RAB9A
SCHEMBL9636073 0.82 PDE5A (0.43) KDM4EALDH1A1PDE5ANPC1RAB9A
SCHEMBL9634861 0.82 PDE5A (0.44) KDM4EALDH1A1PDE5ANPC1RAB9A
SCHEMBL9636132 0.81 PDE5A (0.39) KDM4EALDH1A1PDE5ANPC1RAB9A
SCHEMBL9634872 0.81 KDM4E (0.41) KDM4EALDH1A1PDE5ARAB9ALDHA
SCHEMBL7270724 0.80 PDE5A (0.50) KDM4EALDH1A1PDE5ANPC1RAB9A
SCHEMBL9634512 0.79 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9ALDHA
SCHEMBL9634393 0.77 KDM4E (0.40) KDM4EALDH1A1TP53NPC1RAB9A

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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