SCHEMBL8944473

SCHEMBL8944473

CSc1cc(O)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
GPR35 Q9HC97 4/20 0.42
PDE7A Q13946 2/20 0.41
SLC6A4 P31645 2/20 0.40
CCR2 P41597 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
VCAM1 P19320 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL30954088 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4GPR35PDE7ASLC6A4
SCHEMBL9525231 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4GPR35PDE7ASLC6A4
SCHEMBL6370768 0.85 PDE7A (0.53) ALDH1A1CYP3A4GPR35PDE7ASLC6A4
SCHEMBL8447032 0.81 SLC6A4 (0.53) ALDH1A1CYP3A4PDE7ASLC6A4TSHR
SCHEMBL8781111 0.80 SNCA (0.44) ALDH1A1CYP3A4GPR35TSHRMAPK1
SCHEMBL9525225 0.78 CA2 (0.45) ALDH1A1CYP3A4GPR35PDE7ASLC6A4
SCHEMBL5642359 0.77 ALDH1A1 (0.63) ALDH1A1CYP3A4GPR35TSHRMAPK1
SCHEMBL6371711 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4PDE7AMAPK1SMN1; SMN2
SCHEMBL6156287 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4GPR35TSHRMAPK1
Hydrochloric Acid SCHEMBL8944452 0.76 CA2 (0.44) ALDH1A1CYP3A4GPR35PDE7ASLC6A4

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
EP-0331144-B1 3-SUBSTITUTED PARA-AMINO PHENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE IN DYEING KERATENIC FIBRES AND INTERMEDIATES USED IN THE PREPARATION PROCESS L'OREAL (FR) 1993-06-09 EP claimed
US-5503640-A ALKYLTHIO PARA-AMINOPHENOLS IN AQUEOUS VEHICLE FOR DYEING HUMAN HAIR L'OREAL (FR) 1996-04-02 US disclosed
US-5364413-A Oxidation color dyes for hair L'OREAL (FR) 1994-11-15 US disclosed
US-5084067-A Indoaniline dyes for hair dyes L'OREAL (FR) 1992-01-28 US disclosed