SCHEMBL9503493

SCHEMBL9503493

CNC(=S)C(C(=O)OCC1CCCC1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 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
SCHEMBL9505291 0.99 HPGD (0.40) CNR2CNR1KDM4EHPGDRECQL
SCHEMBL9504390 0.99 HPGD (0.40) CNR2CNR1KDM4EHPGDRECQL
Hydrochloric Acid SCHEMBL9503391 0.98 CNR2 (0.39) CNR2CNR1KDM4EHPGDRECQL
SCHEMBL9505304 0.89 CNR2 (0.41) CNR2CNR1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9503607 0.88 CNR2 (0.42) CNR2CNR1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL10519309 0.88 CNR2 (0.42) CNR2CNR1KDM4EMEN1KMT2A
SCHEMBL9503661 0.88 MEN1 (0.42) CNR2CNR1KDM4EHPGDRECQL
SCHEMBL9506573 0.87 CNR2 (0.39) CNR2CNR1KDM4EHPGDMEN1
Hydrochloric Acid SCHEMBL9504492 0.87 MEN1 (0.41) CNR2CNR1KDM4EHPGDRECQL
Hydrochloric Acid SCHEMBL9503374 0.87 CNR2 (0.41) CNR2CNR1KDM4EHPGDMEN1

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