SCHEMBL3433588

SCHEMBL3433588

Nc1c(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2)ccc2ccc(N=Nc3ccc4ccccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.55
ENPP2 Q13822 1/20 0.53
CYP1A2 P05177 3/20 0.53
CTRB1 P17538 1/20 0.50
MPL P40238 1/20 0.46
CTRC Q99895 1/20 0.46
SENP2 Q9HC62 7/20 0.46
SENP1 Q9P0U3 6/20 0.46
SUMO2 P61956 5/20 0.44
SUMO1 P63165 5/20 0.44
SENP7 Q9BQF6 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
APP P05067 2/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
HPGD P15428 2/20 0.44
SNCA P37840 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44

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
SCHEMBL3434143 0.87 SENP2 (0.56) ENPP2CYP1A2CTRB1MPLCTRC
SCHEMBL15423416 0.83 ENPP2 (0.55) ATICENPP2CYP1A2CTRB1MPL
SCHEMBL17808407 0.82 ENPP2 (0.55) ATICENPP2CYP1A2CTRB1MPL
SCHEMBL3433604 0.81 CYP1A2 (0.51) ATICENPP2CYP1A2CTRB1SENP2
SCHEMBL3434042 0.77 SENP2 (0.54) ATICENPP2CYP1A2SENP2SENP1
SCHEMBL15423417 0.77 ENPP2 (0.52) ENPP2CYP1A2CTRB1MPLCTRC
SCHEMBL13481837 0.75 KMT2A (0.56) ENPP2CYP1A2ALDH1A1MEN1MAPT
SCHEMBL13980954 0.74 CYP1A2 (0.56) ENPP2CYP1A2CTRB1MPLCTRC
SCHEMBL6654290 0.74 CTRB1 (0.82) ATICCYP1A2CTRB1MPLCTRC
SCHEMBL14493388 0.73 ENPP2 (0.65) ATICENPP2CYP1A2MPLCTRC

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