SCHEMBL9503283

SCHEMBL9503283

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.38
ADAMTS5 Q9UNA0 3/20 0.38
ADAMTS4 O75173 2/20 0.38
BMP1 P13497 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
TBXA2R P21731 1/20 0.36
MMP2 P08253 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNQ3 O43525 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 0.97 MEN1 (0.42) HPGDMEN1KMT2ARECQLADAMTS5
SCHEMBL9503666 0.94 HPGD (0.43) HPGDMEN1KMT2ARECQLADAMTS5
SCHEMBL9505297 0.88 HPGD (0.41) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9504394 0.88 HPGD (0.41) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9507165 0.87 MEN1 (0.43) HPGDMEN1KMT2ARECQLADAMTS5
SCHEMBL9503500 0.87 HPGD (0.40) HPGDMEN1KMT2ARECQLSMN1; SMN2
SCHEMBL9503672 0.84 MEN1 (0.43) HPGDMEN1KMT2ARECQLADAMTS5
SCHEMBL9503245 0.83 IDH1 (0.39) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9503251 0.83 IDH1 (0.39) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9503387 0.79 SMN1; SMN2 (0.45) 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