SCHEMBL10001538

SCHEMBL10001538

Nc1c(/N=N/c2ccc3c(O)c(/N=N/c4ccc([N+](=O)[O-])cc4)c(S(=O)(=O)O)cc3c2)ccc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.56
CD40 P25942 1/20 0.51
CD40LG P29965 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK2A1 P68400 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APEX1 P27695 1/20 0.44
PRMT1 Q99873 1/20 0.41
NT5E P21589 1/20 0.41
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL12016079 0.95 ENPP2 (0.59) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15423337 0.93 ENPP2 (0.58) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15423334 0.90 ENPP2 (0.63) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL1176290 0.90 ENPP2 (0.63) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL25453680 0.90 CD40 (0.55) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL16153633 0.90 CD40 (0.55) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15423429 0.87 ENPP2 (0.52) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL12062604 0.87 ENPP2 (0.66) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15424332 0.87 ENPP2 (0.59) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15423332 0.87 ENPP2 (0.55) ENPP2CD40CD40LGCYP1A2CYP3A4

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
US-8361168-B2 Black trisazo dyes, their preparation and their use ILFORD IMAGING SWITZERLAND GMBH 2013-01-29 US disclosed
US-20120159719-A1 BLACK TRISAZO DYES, THEIR PREPARATION AND THEIR USE REX-TONE INDUSTRIES LTD (IN) 2012-06-28 US disclosed