SCHEMBL4648167

SCHEMBL4648167

O=C(O)c1cc(NC(c2cccc3c2OCO3)c2cccc3c2OCO3)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.42
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.35
HCAR2 Q8TDS4 4/20 0.35
CDK2 P24941 1/20 0.34
TACR1 P25103 1/20 0.34
FAAH O00519 1/20 0.34
P4HB P07237 1/20 0.34
PPARG P37231 1/20 0.34
ACVRL1 P37023 1/20 0.33

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
SCHEMBL4648180 0.69 KDM4C (0.45) KDM4CPOLBMAPTMEN1KMT2A
SCHEMBL4648274 0.68 MEN1 (0.52) POLBMAPTMEN1KMT2ARAB9A
SCHEMBL4648548 0.67 MEN1 (0.39) POLBMAPTMEN1KMT2AHCAR2
SCHEMBL29442138 0.65 KDM4C (0.52) KDM4CPOLBALDH1A1DHODHCDK2
SCHEMBL340702 0.65 KDM4C (0.52) KDM4CPOLBALDH1A1DHODHCDK2
SCHEMBL7687089 0.65 ALDH1A1 (0.42) KDM4CPOLBALDH1A1TACR1FAAH
SCHEMBL4648477 0.64 MEN1 (0.39) POLBMAPTMEN1KMT2AHCAR2
SCHEMBL4473207 0.64 ALDH1A1 (0.46) KDM4CPOLBALDH1A1TACR1PPARG
Hydrochloric Acid SCHEMBL9236405 0.64 KDM4C (0.51) KDM4CPOLBALDH1A1CDK2FAAH
SCHEMBL6948312 0.63 ALDH1A1 (0.41) KDM4CPOLBALDH1A1TACR1FAAH

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 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