SCHEMBL4647490

SCHEMBL4647490

CC(Nc1cc(C(=O)O)n[nH]1)(c1ccsc1)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
DAO P14920 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 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
SCHEMBL4648190 0.84 HCAR2 (0.32) MAPTMEN1KMT2APOLBHCAR2
SCHEMBL4648277 0.81 KMT2A (0.42) MAPTMEN1KMT2APOLBNPC1
SCHEMBL4646927 0.64 KDM4C (0.52) MEN1KMT2ANPC1HCAR2DAO
SCHEMBL4648477 0.63 MEN1 (0.39) MAPTMEN1KMT2APOLBHCAR2
SCHEMBL9634678 0.61 MAPT (0.30) MAPT
SCHEMBL4647495 0.60 HCAR3 (0.49) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL570055 0.59 MAPT (1.00) MAPTMEN1KMT2APOLBNPC1
SCHEMBL3516314 0.59 MEN1 (0.55) MAPTMEN1KMT2APOLBHCAR2
SCHEMBL18233041 0.58 KMT2A (0.55) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL13933304 0.58 HCAR2 (0.53) HCAR2DAOL3MBTL1LMNA

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