SCHEMBL13852304

SCHEMBL13852304

Cc1cc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)O)c5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6S(=O)(=O)O)c(O)c5c4N)ccc3c2O)c(OCCCS(=O)(=O)O)cc1N=Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2cccc(O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ PRMT1 Q99873 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ THRB P10828 2/20 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
SCHEMBL13909431 0.94 PHLPP2 (0.35) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL6126462 0.89 ENPP2 (0.38) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL13852307 0.89 ENPP2 (0.38) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL11930420 0.89 ENPP2 (0.45) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL6126122 0.89 ENPP2 (0.45) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL13211647 0.89 PHLPP2 (0.35) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL10284259 0.89 ENPP2 (0.45) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL13909676 0.89 ENPP2 (0.35) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL10284255 0.89 PHLPP2 (0.35) CYP3A4HPGDALOX15HSD17B10CYP2D6
SCHEMBL6125335 0.88 ENPP2 (0.40) CYP3A4HPGDALOX15HSD17B10CYP2D6

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