SCHEMBL9507128

SCHEMBL9507128

CNC(=S)C(CCCC1CCCCC1)(C(=O)O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
RECQL P46063 1/20 0.39
BMP1 P13497 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GPR39 O43194 1/20 0.37
ADAMTS5 Q9UNA0 3/20 0.37
ADAMTS4 O75173 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9503283 0.97 HPGD (0.42) MEN1KMT2AHPGDRECQLBMP1
SCHEMBL9503666 0.94 HPGD (0.43) MEN1KMT2AHPGDRECQLBMP1
SCHEMBL9505297 0.89 HPGD (0.41) MEN1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL9504394 0.89 HPGD (0.41) MEN1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL9503500 0.88 HPGD (0.40) MEN1KMT2AHPGDRECQLSMN1; SMN2
SCHEMBL9503672 0.87 MEN1 (0.43) MEN1KMT2AHPGDRECQLBMP1
SCHEMBL9507165 0.83 MEN1 (0.43) MEN1KMT2AHPGDRECQLBMP1
SCHEMBL9503245 0.82 IDH1 (0.39) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL9503251 0.82 IDH1 (0.39) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL9503387 0.80 SMN1; SMN2 (0.45) MEN1KMT2AHPGDRECQLSMN1; SMN2

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