SCHEMBL3186646

SCHEMBL3186646

CCN(CC)c1c(C=Cc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
PTBP1 P26599 1/20 0.50
CYP19A1 P11511 2/20 0.48
ALDH3A1 P30838 1/20 0.44
NFE2L2 Q16236 1/20 0.43
BACE1 P56817 1/20 0.43
STAT3 P40763 1/20 0.43
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.40
HCAR3 P49019 1/20 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
SCHEMBL9009244 0.80 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1031262 0.80 NFE2L2 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29594574 0.79 MAPT (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5442818 0.79 MAPT (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1578983 0.79 MAPT (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1578978 0.79 MAPT (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1031259 0.79 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11022741 0.77 TDP1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11209069 0.77 TDP1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1565005 0.76 KMT2A (0.54) ALDH1A1MAPTMEN1KMT2ALMNA

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
US-5399664-A Electrooptics ARCH DEVELOPMENT CORPORATION (US) 1995-03-21 US claimed
US-7670512-B2 Second order nonlinear optical polyimides having benzobisthiazole-based pendant groups, and preparation of the same NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2010-03-02 US disclosed
US-7671141-B2 Second order nonlinear optical polyimides having benzobisthiazole-based pendant groups, and preparation of the same NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2010-03-02 US disclosed
US-20070004873-A1 Second order nonlinear optical polyimides having benzobisthiazole-based pendant groups, and preparation of the same NATIONAL SUN YAT-SEN UNIVERSITY 2007-01-04 US disclosed
US-20070001154-A1 Second order nonlinear optical polyimides having benzobisthiazole-based pendant groups, and preparation of the same NATIONAL SUN YAT-SEN UNIVERSITY 2007-01-04 US disclosed
US-5399664-A Electrooptics ARCH DEVELOPMENT CORPORATION (US) 1995-03-21 US disclosed
US-5399664-A Electrooptics ARCH DEVELOPMENT CORPORATION (US) 1995-03-21 US disclosed