SCHEMBL9507165

SCHEMBL9507165

NC(=S)C(CCCCC1CCCCC1)(C(=O)O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.41
ADAMTS5 Q9UNA0 3/20 0.37
ADAMTS4 O75173 2/20 0.37
RECQL P46063 1/20 0.37
MCL1 Q07820 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.36
CYSLTR1 Q9Y271 2/20 0.36
BMP1 P13497 2/20 0.36
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL9503672 0.97 MEN1 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9503387 0.92 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9507126 0.90 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9505436 0.90 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9503407 0.88 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9503283 0.87 HPGD (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9507128 0.83 MEN1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9506592 0.82 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9506587 0.82 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9503666 0.80 HPGD (0.43) 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