SCHEMBL7110405

SCHEMBL7110405

CCCCCCCCOc1ccc(-c2ncc(OCCCCCCCC)c(F)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KDM4E B2RXH2 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.48
RARB P10826 3/20 0.48
LMNA P02545 1/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
NR5A1 Q13285 1/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP19A1 P11511 2/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CYP2D6 P10635 3/20 0.44
CYP3A4 P08684 2/20 0.44

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
SCHEMBL8037160 1.00 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9136116 1.00 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8296044 0.95 RAB9A (0.48) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8297239 0.92 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8291067 0.90 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8300253 0.90 NPC1 (0.44) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL9423119 0.85 RAB9A (0.37) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10342539 0.84 RAB9A (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10342524 0.84 RAB9A (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10342493 0.84 RAB9A (0.51) NPC1RAB9AKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344585-A Switching; electrooptic display devices; high speed response HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-06 US claimed
EP-1086193-B1 MONOSTABLE FERROELECTRIC ACTIVE MATRIX DISPLAY AVENTIS RES & TECH GMBH & CO (DE) 2003-10-29 EP disclosed
US-6605323-B1 Monostable ferroelectric active matrix display AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-08-12 US disclosed
EP-0513262-B1 3,6-DISUBSTITUTED 2-FLUOROPYRIDINES MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
EP-0475444-B1 Use of 4-fluoro-pyrimidine derivatives as components for ferroelectric liquid crystal mixtures and process to prepare these compounds HOECHST AG (DE) 1999-07-14 EP disclosed
US-5389291-A Components of liquid crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5344585-A Switching; electrooptic display devices; high speed response HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
EP-0513262-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK PATENT GmbH (DE) 1992-11-19 EP disclosed
WO-1992009576-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-06-11 WO disclosed
EP-0475444-A1 Use of 4-fluoro-pyrimidine derivatives as components for ferroelectric liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed