SCHEMBL9821082

SCHEMBL9821082

Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
TDP1 Q9NUW8 3/20 0.60
GFER P55789 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
ATM Q13315 1/20 0.60
NT5E P21589 2/20 0.58
CYP3A4 P08684 3/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
IDH1 O75874 3/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
CSNK2A1 P68400 1/20 0.45
MAPK1 P28482 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
SCHEMBL10880062 0.86 NT5E (0.65) MAPTMEN1KMT2ATDP1GFER
SCHEMBL10881471 0.84 NT5E (0.66) MAPTMEN1KMT2ATDP1GFER
SCHEMBL11104382 0.83 NT5E (0.70) MAPTMEN1KMT2ATDP1GFER
SCHEMBL7839318 0.82 MAPT (0.72) MAPTMEN1KMT2ATDP1GFER
SCHEMBL10347230 0.81 NT5E (0.61) MAPTMEN1KMT2ATDP1GFER
SCHEMBL7838995 0.80 MAPT (0.55) MAPTMEN1KMT2ATDP1GFER
SCHEMBL11110261 0.79 NT5E (0.69) MAPTMEN1KMT2ATDP1GFER
SCHEMBL30165662 0.79 ALDH1A1 (0.66) MAPTMEN1KMT2ATDP1NT5E
SCHEMBL709336 0.79 ALDH1A1 (0.66) MAPTMEN1KMT2ATDP1NT5E
SCHEMBL7829819 0.78 MAPT (0.65) MAPTMEN1KMT2ATDP1GFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220613-B1 DIRECT HAIR DYEING COMPOSITION CONTAINING DERIVATIVES OF NITRODIPHENYL AMINE Henkel Kommanditgesellschaft auf Aktien (DE) 1991-05-08 EP disclosed
US-4756716-A Cosmetic carrier, surfactant, nitrodiphenylamine hair dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-07-12 US disclosed
EP-0220613-A1 Direct hair dyeing composition containing derivatives of nitrodiphenyl amine Henkel Kommanditgesellschaft auf Aktien (DE) 1987-05-06 EP disclosed