SCHEMBL9505436

SCHEMBL9505436

NC(=S)C(CC1CCCCC1)(C(=O)O)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 3/20 0.42
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM3 P20309 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
EPHX2 P34913 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 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
SCHEMBL9507126 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503407 0.99 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503672 0.91 MEN1 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503387 0.90 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9507165 0.90 MEN1 (0.43) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9505297 0.86 HPGD (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9504394 0.86 HPGD (0.41) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9506592 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9506587 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9503500 0.84 HPGD (0.40) 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