SCHEMBL9820261

SCHEMBL9820261

COc1cc(N)c([N+](=O)[O-])c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
G6PD P11413 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
HTT P42858 3/20 0.47
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 9/20 0.42
LMNA P02545 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL31569072 0.89 MAPT (0.45) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL20500421 0.89 MAPT (0.45) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL2846073 0.89 HTT (0.50) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL11745815 0.87 ALDH1A1 (0.46) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL1116033 0.83 PKM (0.54) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL1437052 0.82 CYP1A2 (0.46) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL1116017 0.82 KDM4E (0.45) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL15019155 0.81 MAPT (0.40) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL971178 0.79 GRIN2D (0.44) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL11377025 0.79 MAPT (0.68) MAPTKDM4EMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP claimed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US claimed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP claimed
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP disclosed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US disclosed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP disclosed