SCHEMBL9634414

SCHEMBL9634414

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.40
▸ ALDH1A1 P00352 8/20 0.38
▸ KDM4E B2RXH2 7/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ LDHA P00338 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PKN1 Q16512 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ METAP2 P50579 2/20 0.36
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 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
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 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
SCHEMBL9635097 0.89 KDM4E (0.41) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL10742244 0.85 ALDH1A1 (0.37) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL9634705 0.85 PDE5A (0.44) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL9636073 0.83 PDE5A (0.43) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL9634861 0.83 PDE5A (0.44) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL9636132 0.82 PDE5A (0.39) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL9634872 0.81 KDM4E (0.41) PDE5AALDH1A1KDM4ERAB9ALDHA
SCHEMBL7270724 0.81 PDE5A (0.50) PDE5AALDH1A1KDM4ENPC1RAB9A
SCHEMBL9634988 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9ALDHA
SCHEMBL9635764 0.78 KDM4E (0.46) PDE5AALDH1A1KDM4ENPC1RAB9A

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 3 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
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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