SCHEMBL9505434

SCHEMBL9505434

NC(=S)C(C(=O)OCC1CCCCC1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGIR P43119 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
SCHEMBL9507117 1.00 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9505502 0.99 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9504445 0.99 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9503402 0.99 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9503372 0.98 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL10521207 0.87 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9505493 0.86 CNR2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9503668 0.86 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9505461 0.85 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL9503611 0.85 CNR2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 1 patent. 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