SCHEMBL9503666

SCHEMBL9503666

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BMP1 P13497 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 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
GPR39 O43194 1/20 0.35
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
KLK7 P49862 1/20 0.35
CHRM3 P20309 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
SCHEMBL9507128 0.94 MEN1 (0.42) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9503283 0.94 HPGD (0.42) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9504394 0.90 HPGD (0.41) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9505297 0.90 HPGD (0.41) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9503500 0.89 HPGD (0.40) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9503387 0.85 SMN1; SMN2 (0.45) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9503251 0.81 IDH1 (0.39) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9503245 0.81 IDH1 (0.39) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9503672 0.81 MEN1 (0.43) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9507165 0.80 MEN1 (0.43) HPGDMEN1KMT2ARECQLSMN1; 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