SCHEMBL9003532

SCHEMBL9003532

COc1ccc(N=Cc2ccc([N+](=O)[O-])o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
LMNA P02545 5/20 0.63
MAPT P10636 5/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
POLB P06746 4/20 0.63
KDM4E B2RXH2 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HTT P42858 2/20 0.63
MAPK1 P28482 2/20 0.63
THRB P10828 2/20 0.63
RECQL P46063 2/20 0.63
TDP1 Q9NUW8 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MITF O75030 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 2/20 0.54

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
SCHEMBL17371004 0.82 ALDH1A1 (0.69) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL10621214 0.81 ALDH1A1 (0.74) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL24184955 0.76 MAPT (0.74) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL32675192 0.76 MAPT (0.74) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL16118374 0.76 ALDH1A1 (0.62) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL16118264 0.76 ALDH1A1 (0.62) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9353955 0.75 PTGS2 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3431012 0.75 PTGS2 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3431014 0.75 PTGS2 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9353952 0.75 PTGS2 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63096639-A None JP disclosed
EP-0487019-B1 Use of a nonlinear optical compound MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1996-09-25 EP disclosed
EP-0384364-B1 A composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 1994-01-19 EP disclosed
US-5154858-A Mixture of 2-(p-chlorophenyl)imidazoline and a compound having an electron donative and an electron attractive group MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0487019-A2 Use of a nonlinear optical compound MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1992-05-27 EP disclosed
US-5009815-A Composition of nonlinear optical materials and a method for preparing the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1991-04-23 US disclosed
JP-S6396639-A ORGANIC NONLINEAR TYPE OPTICAL COMPOUND TORAY IND INC 1988-04-27 JP disclosed