SCHEMBL9503384

SCHEMBL9503384

CNC(=S)C(C(=O)OC1CCCCC1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ KCNA5 P22460 3/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ ANPEP P15144 2/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ LAP3 P28838 1/20 0.36
▸ NPEPPS P55786 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.36
▸ MAPT P10636 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
SCHEMBL9505466 0.84 CYP19A1 (0.43) CYP19A1KDM4EHRH3MEN1KMT2A
SCHEMBL9504390 0.84 HPGD (0.40) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL9505291 0.84 HPGD (0.40) KDM4EMEN1KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL9503261 0.83 CYP19A1 (0.42) CYP19A1KDM4EHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL9503391 0.83 CNR2 (0.39) KDM4EMEN1KMT2AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL9504486 0.83 KDM4E (0.41) KDM4EMEN1KMT2AALDH1A1NPSR1
SCHEMBL9503493 0.83 CNR2 (0.39) KDM4EMEN1KMT2A
SCHEMBL9503661 0.82 MEN1 (0.42) KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9504492 0.81 MEN1 (0.41) KDM4EMEN1KMT2A
SCHEMBL9507122 0.81 MEN1 (0.40) KDM4EMEN1KMT2A

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
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 — — EP claimed
EP-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 — — EP disclosed
EP-0336561-A1 2-Pyridylacetic acid derivatives, preparations thereof, and compositions containing them SUNTORY LIMITED (JP) 1989-10-11 — — EP disclosed
US-4843083-A 2-pyridylacetic acid derivative, and pharmaceutical composition containing the same and method of treating a peptic ulcer SUNTORY LIMITED (JP) 1989-06-27 — — US disclosed
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