SCHEMBL9507998

SCHEMBL9507998

CCCCNc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HCAR3 P49019 2/20 0.54
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
RIPK1 Q13546 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
KAT2B Q92831 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TRPA1 O75762 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL11046666 0.96 HCAR3 (0.55) MAPTHCAR3POLBPKMRIPK1
Water SCHEMBL9652876 0.87 SMN1; SMN2 (0.53) MAPTHCAR3POLBPKMRIPK1
SCHEMBL21616838 0.85 SMN1; SMN2 (0.57) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL2061274 0.84 MAPT (0.54) MAPTHCAR3SMN1; SMN2MAPK1ALDH1A1
SCHEMBL14294847 0.84 MAPT (0.69) MAPTHCAR3POLBPKMRIPK1
SCHEMBL109470 0.83 KMT2A (0.67) MAPTPKMSMN1; SMN2LMNAMAPK1
SCHEMBL31365177 0.83 SMN1; SMN2 (0.52) MAPTHCAR3POLBPKMRIPK1
SCHEMBL2470932 0.82 KAT2B (0.52) MAPTPOLBPKMSMN1; SMN2MAPK1
SCHEMBL9650155 0.82 CHEK1 (0.50) MAPTKDM4EALDH1A1KMT2AMEN1
Methoxymethane SCHEMBL7082256 0.81 TSHR (0.61) MAPTPKMSMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5009160-A None JP disclosed
JP-H059160-A PRODUCTION OF NITROANILINE COMPOUND L'OREAL SA 1993-01-19 JP disclosed
US-5085666-A NITROANILINES AND HAIR-DYEING COMPOSITIONS IN WHICH THEY ARE PRESENT L'OREAL (FR) 1992-02-04 US disclosed
US-4973757-A Process for the preparation of nitroanilines L'OREAL (FR) 1990-11-27 US disclosed