SCHEMBL3190249

SCHEMBL3190249

O=[N+]([O-])c1ccc(Oc2cc(Oc3ccc([N+](=O)[O-])cc3)c(C34CC5CC(CC(C5)C3)C4)cc2C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSPB1 P04792 3/20 0.45
PGR P06401 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 2/20 0.41
EPHX2 P34913 1/20 0.41
PDE7A Q13946 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28015555 0.90 ALDH1A1 (0.44) NPC1RAB9AHSPB1PGRKMT2A
SCHEMBL16049433 0.90 HSPB1 (0.46) NPC1RAB9AHSPB1PGRKMT2A
SCHEMBL15071010 0.80 RAB9A (0.59) NPC1RAB9AHSPB1PGRKMT2A
SCHEMBL31168053 0.79 PDE7A (0.53) NPC1RAB9AHSPB1PGRKMT2A
SCHEMBL28670769 0.79 PDE7A (0.53) NPC1RAB9AHSPB1PGRKMT2A
SCHEMBL2707687 0.79 ALDH1A1 (0.50) NPC1RAB9APGRKMT2AMEN1
Potassium Ion SCHEMBL2708652 0.77 RARB (0.45) RAB9APGRKMT2AMEN1ALDH1A1
SCHEMBL2709593 0.77 RARB (0.55) PGRKMT2AMEN1ALDH1A1MAPT
SCHEMBL15071008 0.76 HSPB1 (0.55) NPC1RAB9AHSPB1PGRKMT2A
Hydrochloric Acid SCHEMBL3188443 0.76 RARB (0.54) PGRKMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652125-B2 Resin composition, polyimide resin composition, polybenzoxazole resin composition, varnish, resin film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2010-01-26 US disclosed
US-20080255335-A1 Resin Composition, Polyimide Resin Composition, Polybenzoxazole Resin Composition, Varnish, Resin Film and Semiconductor Device Using the Same SUMITOMO BAKELITE COMPANY LTD. (JP) 2008-10-16 US disclosed
EP-1813637-A1 RESIN COMPOSITION, POLYIMIDE RESIN COMPOSITION, POLY- BENZOXAZOLE RESIN COMPOSITION, VARNISHES, RESIN FILMS AND SEMICONDUCTOR DEVICES MADE BY USING THE SAME Sumitomo Bakelite Company, Limited (JP) 2007-08-01 EP disclosed