SCHEMBL9688049

SCHEMBL9688049

CNc1cc([N+](=O)[O-])c(N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TDP1 Q9NUW8 5/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR3 P49019 1/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
GALR2 O43603 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL2472285 0.81 TSHR (0.49) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL20750204 0.79 TDP1 (0.42) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL22897870 0.79 MAPT (0.45) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10612556 0.79 MAPT (0.44) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL29665784 0.79 MAPT (0.52) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL30110723 0.79 TDP1 (0.52) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL199359 0.79 MAPT (0.52) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL564506 0.79 TDP1 (0.52) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL11053592 0.78 MAPT (0.47) MAPTALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL8095561 0.77 MAPT (0.50) MAPTALDH1A1TSHRCYP1A2CYP2C9

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
US-5163970-A NITRO-P-PHENYLENEDIAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COLORING AGENTS CONTAINING THESE FOR USE ON KERATIN FIBRES HANS SCHWARZKOPF GMBH (DE) 1992-11-17 US claimed
US-5163970-A NITRO-P-PHENYLENEDIAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COLORING AGENTS CONTAINING THESE FOR USE ON KERATIN FIBRES HANS SCHWARZKOPF GMBH (DE) 1992-11-17 US disclosed
US-5067967-A Nitro dyes for oxidation color dyes 501 HANS SCHWARZKOPF GMBH (DE) 1991-11-26 US disclosed