SCHEMBL9503500

SCHEMBL9503500

CNC(=S)C(CC1CCCC1)(C(=O)O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.39
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CETP P11597 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GPR39 O43194 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KLK7 P49862 1/20 0.34

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
SCHEMBL9505297 0.99 HPGD (0.41) HPGDKMT2AMEN1RECQLCHRM3
SCHEMBL9504394 0.99 HPGD (0.41) HPGDKMT2AMEN1RECQLCHRM3
SCHEMBL9503666 0.89 HPGD (0.43) HPGDKMT2AMEN1RECQLCHRM3
SCHEMBL9507128 0.88 MEN1 (0.42) HPGDKMT2AMEN1RECQLALDH1A1
SCHEMBL9503251 0.87 IDH1 (0.39) HPGDKMT2AMEN1CHRM3ALDH1A1
SCHEMBL9503245 0.87 IDH1 (0.39) HPGDKMT2AMEN1CHRM3ALDH1A1
SCHEMBL9503283 0.87 HPGD (0.42) HPGDKMT2AMEN1RECQLALDH1A1
SCHEMBL9503407 0.85 SMN1; SMN2 (0.43) HPGDKMT2AMEN1RECQLCHRM3
SCHEMBL9505436 0.84 SMN1; SMN2 (0.44) HPGDKMT2AMEN1RECQLCHRM3
SCHEMBL9507126 0.84 SMN1; SMN2 (0.44) HPGDKMT2AMEN1RECQLCHRM3

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