SCHEMBL9686092

SCHEMBL9686092

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ADRB2 P07550 1/20 0.41
HCAR3 P49019 3/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
KDR P35968 2/20 0.35
JAK3 P52333 2/20 0.35
AURKB Q96GD4 2/20 0.35
TDP1 Q9NUW8 4/20 0.34

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
SCHEMBL9686096 0.78 MAPT (0.75) MAPTADRB2ALDH1A1CYP1A2CYP2C9
SCHEMBL9686988 0.77 MAPT (0.54) MAPTADRB2ALDH1A1CYP1A2CYP2C9
SCHEMBL9688049 0.76 MAPT (0.44) MAPTHCAR3ALDH1A1CYP1A2CYP2C9
SCHEMBL9807546 0.76 MAPT (0.51) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL5519570 0.75 GAA (0.47) MAPTHCAR3ALDH1A1MEN1KMT2A
SCHEMBL5784069 0.73 MAPT (0.49) MAPTHCAR3ALDH1A1CYP1A2CYP2C9
SCHEMBL21522752 0.71 HCAR3 (0.36) MAPTHCAR3ALDH1A1CYP1A2CYP2C9
SCHEMBL16722175 0.71 KMT2A (0.53) MAPTHCAR3ALDH1A1MEN1KMT2A
SCHEMBL9395746 0.71 KMT2A (0.53) MAPTHCAR3ALDH1A1MEN1KMT2A
SCHEMBL10894653 0.70 HCAR3 (0.56) MAPTHCAR3ALDH1A1CYP1A2CYP2C9

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-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