SCHEMBL4716451

SCHEMBL4716451

Nc1ccc(Oc2ccc(Nc3ccc(-c4ccccc4N)cc3)cc2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
IKBKB O14920 11/20 0.42
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
BRAF P15056 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
RCE1 Q9Y256 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL4715485 0.88 NCOA1 (0.40) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL7511939 0.88 NCOA1 (0.44) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL5438877 0.86 MAPT (0.53) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL5438255 0.86 MAPT (0.53) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL4716449 0.86 MAPT (0.53) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL4715484 0.86 MAPT (0.53) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL7015396 0.78 CYP3A4 (0.54) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL29866044 0.78 CYP3A4 (0.54) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL11135655 0.77 IKBKB (0.60) NCOA1NCOA3IKBKBCYP1A2CYP2C9
SCHEMBL28806097 0.77 MAPT (0.53) NCOA1NCOA3IKBKBCYP1A2CYP2C9

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-1248497-B1 ELECTROLUMINESCENCE ELEMENT NISSAN CHEMICAL IND LTD (JP) 2008-10-15 EP disclosed
US-6821648-B2 SALT OF AN ELECTRON ACCEPTING DOPANE AND POLYIMIDE OBTAINED FROM A DIAMINE COMPONENT CONTAINING AT LEAST 1 MOL % OF AN OLIGO-ANILINE UNIT-BEARING DIAMINOBENZENE DERIVATIVE AND A TETRACARBOXYLIC DIANHYDRIDE OR DERIVATIVE Kido, Junji (JP) 2004-11-23 US disclosed
US-20020197494-A1 Electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-26 US disclosed
EP-1248497-A1 ELECTROLUMINESCENCE ELEMENT Nissan Chemical Industries, Ltd. (JP) 2002-10-09 EP disclosed