SCHEMBL4647555

SCHEMBL4647555

CCOC(=O)c1cc(NC(Cc2ccccc2)c2ccsc2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPRB P23467 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRB3 P13945 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CCR3 P51677 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4648929 0.74 SMN1; SMN2 (0.58) POLBKMT2ATP53THRBNPSR1
SCHEMBL28644530 0.71 POLB (0.62) POLBKMT2ATP53THRBNPSR1
SCHEMBL8284647 0.70 POLB (0.53) POLBKMT2ATP53THRBNPSR1
SCHEMBL4647559 0.70 HCAR3 (0.53) POLBKMT2ATP53THRBNPSR1
SCHEMBL11357621 0.69 CHRM1 (0.49) TP53ALDH1A1PKM
SCHEMBL17361367 0.69 POLB (0.49) POLBKMT2ATP53THRBNPSR1
SCHEMBL4648477 0.68 MEN1 (0.39) POLBKMT2AMEN1
SCHEMBL13369577 0.67 NPSR1 (0.52) POLBKMT2ATP53THRBNPSR1
SCHEMBL25312921 0.67 NPSR1 (0.47) POLBKMT2ATP53THRBNPSR1
SCHEMBL12703567 0.67 HCAR2 (0.67) POLBKMT2ATP53THRBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899304-A1 5-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE G-PROTEIN COUPLED RECEPTOR (GPCR) RUP38 FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2008-03-19 EP disclosed
WO-2006127595-A1 5-AMINOPYRAZOLE CARBOXYLIC ACID DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed