SCHEMBL8095561

SCHEMBL8095561

Nc1cc([N+](=O)[O-])c(N)cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.45
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
GPR35 Q9HC97 1/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL30110723 0.89 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL29665784 0.89 MAPT (0.52) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL199359 0.89 MAPT (0.52) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL564506 0.89 TDP1 (0.52) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL17580458 0.89 ALDH1A1 (0.47) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL14247146 0.87 MAPT (0.50) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL6505797 0.87 MAPT (0.50) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL500039 0.87 TDP1 (0.50) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL8698196 0.87 TDP1 (0.50) MAPTTDP1ALDH1A1MEN1POLB
SCHEMBL19511923 0.86 MAPT (0.62) MAPTTDP1ALDH1A1MEN1POLB

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 8 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
JP-3011043-A None JP disclosed
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 WO disclosed
EP-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed
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-5091581-A Reacting diaminonitrobenzene with chloroalkyl chloroformate HANS SCHWARZKOPF GMBH (DE) 1992-02-25 US disclosed
US-5067967-A Nitro dyes for oxidation color dyes 501 HANS SCHWARZKOPF GMBH (DE) 1991-11-26 US disclosed
JP-H0311043-A NITRO-P-PHENYLENEDIAMINE DERIVATIVE, ITS PREPARATION, AND COLORING AGENT CONTAINING IT FOR KERATIN FIBER HANS SCHWARZKOPF GMBH 1991-01-18 JP disclosed