SCHEMBL4648274

SCHEMBL4648274

O=C(O)c1cc(NC(c2cccs2)c2cccs2)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.39
HCAR2 Q8TDS4 7/20 0.39
HCAR3 P49019 1/20 0.39
DAO P14920 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYTH3 O43739 1/20 0.36
BTK Q06187 1/20 0.36
EPN1 Q9Y6I3 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
SCHEMBL4648477 0.77 MEN1 (0.39) MEN1KMT2AHCAR2HCAR3DAO
SCHEMBL4648548 0.71 MEN1 (0.39) MEN1KMT2AHCAR2HCAR3DAO
SCHEMBL3520906 0.69 KMT2A (1.00) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL4648167 0.68 KDM4C (0.42) MEN1KMT2AHCAR2RAB9AMAPT
SCHEMBL4080372 0.67 CES2 (0.46) MEN1KMT2AL3MBTL1DAONPC1
SCHEMBL5008289 0.66 CCNA2 (0.51) MEN1KMT2AHCAR2NPC1RAB9A
SCHEMBL4623217 0.66 HCAR2 (0.58) HCAR2DAOKDM4E
SCHEMBL5008226 0.66 CASP3 (0.45) MEN1KMT2AHCAR2DAONPC1
SCHEMBL4649871 0.66 HCAR3 (0.58) HCAR2HCAR3DAOCYTH3BTK
SCHEMBL4648610 0.65 HCAR2 (0.47) HCAR2HCAR3DAONPC1RAB9A

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