SCHEMBL9505291

SCHEMBL9505291

CNC(=S)C(C(=O)OCC1CCCCCC1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
CNR2 P34972 4/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CNR1 P21554 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK8 P45983 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL9504390 1.00 HPGD (0.40) HPGDKDM4ERECQLCNR2MEN1
Hydrochloric Acid SCHEMBL9503391 0.99 CNR2 (0.39) HPGDKDM4ERECQLCNR2MEN1
SCHEMBL9503493 0.99 CNR2 (0.39) HPGDKDM4ERECQLCNR2MEN1
SCHEMBL9503661 0.89 MEN1 (0.42) HPGDKDM4ERECQLCNR2MEN1
SCHEMBL9505304 0.88 CNR2 (0.41) KDM4ECNR2MEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL9504492 0.88 MEN1 (0.41) HPGDKDM4ERECQLCNR2MEN1
Hydrochloric Acid SCHEMBL9503607 0.87 CNR2 (0.42) KDM4ECNR2MEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL10519309 0.87 CNR2 (0.42) KDM4ECNR2MEN1KMT2ACNR1
SCHEMBL9507122 0.87 MEN1 (0.40) HPGDKDM4ERECQLMEN1KMT2A
SCHEMBL9506573 0.86 CNR2 (0.39) HPGDKDM4ECNR2MEN1KMT2A

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