SCHEMBL3435182

SCHEMBL3435182

Nc1c(N=Nc2cc(Cl)c(S(=O)(=O)O)cc2Cl)ccc2ccc(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.47
CYP1A2 P05177 2/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
MAPK1 P28482 4/20 0.43
RECQL P46063 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42

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
SCHEMBL3435585 0.84 ENPP2 (0.51) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL3434070 0.83 ALDH1A1 (0.56) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL3435549 0.80 SENP2 (0.51) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL3434139 0.79 ENPP2 (0.68) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL31222686 0.79 MEN1 (0.51) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL3435541 0.79 MEN1 (0.51) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL16549474 0.78 ENPP2 (0.62) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL16220635 0.78 ENPP2 (0.62) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL3434065 0.78 ENPP2 (0.48) ENPP2CYP1A2MAPTALDH1A1MEN1
SCHEMBL3201797 0.78 MEN1 (0.50) ENPP2CYP1A2MAPTALDH1A1MEN1

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