SCHEMBL4648277

SCHEMBL4648277

CC(Nc1cc(C(=O)O)n[nH]1)(c1ccsc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.34
HCAR3 P49019 2/20 0.33
HCAR2 Q8TDS4 5/20 0.33
DAO P14920 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ACLY P53396 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4647490 0.81 MAPT (0.40) KMT2AMEN1L3MBTL1HCAR2DAO
SCHEMBL4648190 0.80 HCAR2 (0.32) KMT2AMEN1HCAR3HCAR2DAO
SCHEMBL4648477 0.67 MEN1 (0.39) KMT2AMEN1HCAR3HCAR2DAO
SCHEMBL4648274 0.66 MEN1 (0.52) KMT2AMEN1L3MBTL1HCAR3HCAR2
SCHEMBL4646927 0.66 KDM4C (0.52) KMT2AMEN1HCAR3HCAR2DAO
SCHEMBL21085191 0.62 POLB (0.44) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL3520906 0.60 KMT2A (1.00) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL3516314 0.60 MEN1 (0.55) KMT2AMEN1HCAR3HCAR2DAO
SCHEMBL18233041 0.59 KMT2A (0.55) KMT2AL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13933304 0.59 HCAR2 (0.53) L3MBTL1HCAR3HCAR2DAOKDM4E

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 4 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 claimed
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 claimed
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