SCHEMBL3433604

SCHEMBL3433604

Nc1c(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2)ccc2ccc(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
CYP2C9 P11712 3/20 0.51
ALOX15 P16050 3/20 0.51
CYP2C19 P33261 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
ALOX12 P18054 1/20 0.51
CSNK2A1 P68400 1/20 0.51
ATIC P31939 4/20 0.49
ENPP2 Q13822 5/20 0.49
PRMT1 Q99873 1/20 0.46
NT5E P21589 1/20 0.43
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3435168 0.88 ENPP2 (0.49) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL10001538 0.86 ENPP2 (0.56) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL16488648 0.83 ENPP2 (0.48) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL3433588 0.81 ATIC (0.55) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL12016079 0.81 ENPP2 (0.59) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL15423337 0.80 ENPP2 (0.58) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL3435549 0.80 SENP2 (0.51) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL15423334 0.79 ENPP2 (0.63) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL15423331 0.79 ENPP2 (0.65) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10
SCHEMBL1176290 0.79 ENPP2 (0.63) CYP1A2CYP2C9ALOX15CYP2C19HSD17B10

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-8834620-B2 Black disazo dyes, their preparation and use ILFORD IMAGING SWITZERLAND GMBH (CH) 2014-09-16 US disclosed
US-20120090503-A1 BLACK DISAZO DYES, THEIR PREPARATION AND USE ILFORD IMAGING SWITZERLAND GMBH 2012-04-19 US disclosed