SCHEMBL4648180

SCHEMBL4648180

O=C(O)c1cc(N(Cc2cccc3c2OCO3)Cc2cccc3c2OCO3)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.45
FAAH O00519 1/20 0.39
HCAR2 Q8TDS4 7/20 0.39
ALKBH1 Q13686 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR3 P49019 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ECE1 P42892 2/20 0.34
MME P08473 1/20 0.34

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
SCHEMBL4648632 0.75 HCAR3 (0.61) HCAR2MEN1MAPTKMT2AHCAR3
SCHEMBL4621634 0.73 HCAR2 (0.56) HCAR2HCAR3
SCHEMBL4648283 0.70 HCAR3 (0.61) HCAR2MEN1POLBMAPTKMT2A
SCHEMBL4647131 0.69 HCAR2 (0.62) KDM4CHCAR2MEN1KMT2AHCAR3
SCHEMBL4648167 0.69 KDM4C (0.42) KDM4CFAAHHCAR2MEN1POLB
SCHEMBL4648554 0.68 HCAR3 (0.61) HCAR2MEN1POLBMAPTKMT2A
SCHEMBL4648492 0.67 HCAR2 (0.46) HCAR2HCAR3
SCHEMBL4621556 0.67 HCAR2 (0.43) KDM4CHCAR2HCAR3
SCHEMBL4645294 0.67 HCAR2 (0.38) HCAR2MEN1POLBMAPTKMT2A
SCHEMBL3402977 0.66 KDM4C (0.50) KDM4CFAAHALKBH1POLBSMN1; 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 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