SCHEMBL9686096

SCHEMBL9686096

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.75
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.36
TSHR P16473 1/20 0.36
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
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9686988 0.85 MAPT (0.54) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9807546 0.79 MAPT (0.51) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL9686092 0.78 MAPT (0.49) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9688049 0.76 MAPT (0.44) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8978493 0.72 MAPT (0.62) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL22439075 0.72 MAPT (0.62) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL29203201 0.72 MAPT (0.62) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL109941 0.72 MAPT (0.58) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14395463 0.71 MAPT (0.56) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2443266 0.70 MAPT (0.63) MAPTALDH1A1MEN1KMT2APKM

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