SCHEMBL414840

SCHEMBL414840

Nc1ccc(S(=O)(=O)O)c2ccc(N=Nc3ccc(N=Nc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CTRB1 P17538 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
ALOX12 P18054 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CSNK2A1 P68400 1/20 0.48
SENP3 Q9H4L4 4/20 0.48
SENP2 Q9HC62 4/20 0.48
SENP1 Q9P0U3 4/20 0.48
SUMO2 P61956 2/20 0.48
SUMO1 P63165 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
PRMT1 Q99873 1/20 0.46
AURKA O14965 1/20 0.45

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
SCHEMBL28747688 0.95 CYP1A2 (0.54) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL416249 0.91 CYP2C9 (0.56) CYP1A2CYP2C9CYP2C19HSD17B10HPGD
SCHEMBL11140694 0.84 NT5E (0.51) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL11140691 0.84 NT5E (0.51) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL28747674 0.82 CYP1A2 (0.59) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL9640449 0.82 CYP1A2 (0.59) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL29702447 0.82 CYP1A2 (0.59) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL9640482 0.82 CYP1A2 (0.59) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10
SCHEMBL4075937 0.80 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19HSD17B10HPGD
SCHEMBL9640497 0.80 CYP1A2 (0.57) CYP1A2CTRB1CYP2C9CYP2C19HSD17B10

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-8734677-B2 Liquid-crystal coating fluid and polarizing film NITTO DENKO CORPORATION (JP) 2014-05-27 US disclosed
US-20120062829-A1 LIQUID-CRYSTAL COATING FLUID AND POLARIZING FILM NITTO DENKO CORPORATION (JP) 2012-03-15 US disclosed