SCHEMBL5006964

SCHEMBL5006964

O=[N+]([O-])c1cc(C23CC4CC(C2)CC(C25CC6CC(CC(c7ccc(O)c([N+](=O)[O-])c7)(C6)C2)C5)(C4)C3)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
PGR P06401 1/20 0.44
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.39
ABAT P80404 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
SCHEMBL2748087 0.93 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL32674534 0.88 MEN1 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6623185 0.88 MEN1 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3180385 0.80 NPC1 (0.45) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2710257 0.79 MEN1 (0.50) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5000706 0.76 MEN1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3177338 0.76 MEN1 (0.57) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4585710 0.75 MAPK1 (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5000745 0.75 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4843324 0.73 RAB9A (0.49) NPC1RAB9AMEN1KMT2APOLB

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-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
US-20080206548-A1 Benzoxazole Resin Precursor, Polybenzoxazole Resin, Resin Film And Semiconductor Device SUMITOMO BAKELITE CO., LTD (JP) 2008-08-28 US disclosed
EP-1832619-A1 BENZOXAZOLE RESIN PRECURSOR, POLYBENZOXAZOLE RESIN, RESIN FILM, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company, Limited (JP) 2007-09-12 EP disclosed