SCHEMBL13852302

SCHEMBL13852302

Nc1c(N=Nc2ccc3c(O)c(N=Nc4cc(OCCO)c(N=Nc5cc(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(O)c56)cc4OCCO)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.44
▸ PRMT1 Q99873 2/20 0.42
▸ APEX1 P27695 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL13852245 0.93 ENPP2 (0.39) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL6125340 0.93 ENPP2 (0.43) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL11930420 0.91 ENPP2 (0.45) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL6126122 0.91 ENPP2 (0.45) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL10284259 0.91 ENPP2 (0.45) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL6126228 0.89 PRMT1 (0.47) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL11926254 0.89 ENPP2 (0.45) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL15292343 0.89 ENPP2 (0.45) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL6126201 0.88 ENPP2 (0.43) ENPP2PRMT1APEX1CYP1A2PHLPP2
SCHEMBL13852030 0.88 ENPP2 (0.46) ENPP2PRMT1APEX1CYP1A2PHLPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136720-A1 Azo Compound, Ink Composition, Recording Method and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-28 — — US disclosed
Send feedback