SCHEMBL9503387

SCHEMBL9503387

NC(=S)C(CCC1CCCCC1)(C(=O)O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 3/20 0.43
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
PGR P06401 1/20 0.36
THRB P10828 1/20 0.36
ADRB3 P13945 1/20 0.36
OPRK1 P41145 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNH2 Q12809 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
SCHEMBL9503672 0.93 MEN1 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507165 0.92 MEN1 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9505436 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507126 0.90 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503407 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503666 0.85 HPGD (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507128 0.80 MEN1 (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9505297 0.79 HPGD (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9504394 0.79 HPGD (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503283 0.79 HPGD (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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