SCHEMBL6325514

SCHEMBL6325514

CC(C)(C)c1cc(-c2ccc(-n3nc4ccc(Cl)cc4n3)cc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRKCZ Q05513 1/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6325510 0.81 NPC1 (0.38) MAPTNPC1RAB9AATMKDM4E
SCHEMBL29241 0.81 NPC1 (0.41) MAPTNPC1RAB9AATMKDM4E
SCHEMBL29349567 0.81 NPC1 (0.41) MAPTNPC1RAB9AATMKDM4E
SCHEMBL3900613 0.80 NPC1 (0.44) MAPTNPC1RAB9AATMKDM4E
SCHEMBL4366547 0.80 HSP90AA1 (0.49) HSP90AA1MEN1KMT2AALDH1A1POLB
SCHEMBL12199834 0.78 NPC1 (0.42) NPC1RAB9AKDM4EPOLBL3MBTL1
SCHEMBL23908723 0.77 NPC1 (0.38) MAPTNPC1RAB9AATMKDM4E
Bumetrizole SCHEMBL5194149 0.76 NPC1 (0.48) MAPTNPC1RAB9AATMKDM4E
SCHEMBL20015405 0.76 NPC1 (0.47) MAPTNPC1RAB9AATMKDM4E
SCHEMBL1276012 0.76 NPC1 (0.42) MAPTNPC1RAB9AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050191476-A1 Epoxy resin composition excellent in weather resistance and fiber-reinforced composite materials TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2005-09-01 US disclosed
EP-1454956-A1 EPOXY RESIN COMPOSITION EXCELLENT IN WEATHER RESISTANCE AND FIBER-REINFORCED COMPOSITE MATERIALS TORAY INDUSTRIES, INC. (JP) 2004-09-08 EP disclosed