SCHEMBL10774151

SCHEMBL10774151

Nc1c([N+](=O)[O-])ccc(-c2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP6 P55212 3/20 0.48
PSMD14 O00487 1/20 0.48
PRKACA P17612 1/20 0.48
POLB P06746 3/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
GPR35 Q9HC97 1/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 1/20 0.43
CTSB P07858 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL5707263 0.81 ALDH1A1 (0.55) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL15522961 0.80 TDP1 (0.53) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL30139580 0.78 TDP1 (0.55) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL16937118 0.78 TDP1 (0.55) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL1251652 0.77 TDP1 (0.69) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL5605382 0.77 TDP1 (0.69) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL28874495 0.77 TDP1 (0.53) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL28874462 0.77 ALDH1A1 (0.53) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL30059179 0.76 TDP1 (0.49) TDP1ALDH1A1CRHBPCRHR2MEN1
SCHEMBL8311312 0.74 MAPK1 (0.55) TDP1ALDH1A1CASP6POLBGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4668237-A VIOLET OR BLUE AMINO NITROBENZENE DYE L'OREAL (FR) 1987-05-26 US disclosed