SCHEMBL2745083

SCHEMBL2745083

c1scc2[nH]c(C3CCCCC3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPK13 O15264 1/20 0.37
RAF1 P04049 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36

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
SCHEMBL2744745 0.98 NPC1 (0.50) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL15767763 0.91 NPC1 (0.41) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL724921 0.74 NPC1 (0.62) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL6757201 0.74 NPC1 (0.62) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL6756134 0.71 NPC1 (0.59) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL20992046 0.71 NPC1 (0.68) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL2745058 0.70 TDP1 (0.39) NPC1RAB9AKDM4ECYP2D6CYP2C9
SCHEMBL13413905 0.69 NPC1 (0.78) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL31289478 0.69 KDM4E (0.76) NPC1RAB9AKDM4EMAPTGFER
SCHEMBL697906 0.69 NPC1 (0.52) NPC1RAB9AKDM4EMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US claimed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US claimed
US-20120196078-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF SOTZING GREGORY A (US) 2012-08-02 US disclosed
US-8178629-B2 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2012-05-15 US disclosed
US-7321012-B2 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom THE UNIVERSITY OF CONNECTICUT (US) 2008-01-22 US disclosed
US-20070089845-A1 Conjugated polymer fiber, preparation and use thereof UNIVERSITY OF CONNECTICUT 2007-04-26 US disclosed
WO-2006084088-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-08-10 WO disclosed
WO-2005014693-A1 METHOD OF CROSSLINKING INTRINSICALLY CONDUCTIVE POLYMERS OR INTRINSICALLY CONDUCTIVE POLYMER PRECURSORS AND THE ARTICLES OBTAINED THEREFROM UNIVERSITY OF CONNECTICUT (US) 2005-02-17 WO disclosed
US-20040242792-A1 Method of crosslinking intrinsically conductive polymers or intrinsically conductive polymer precursors and the articles obtained therefrom CONNECTICUT, THE UNIVERSITY OF 2004-12-02 US disclosed
EP-0885251-B1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AG (DE) 2001-08-16 EP disclosed
US-6242561-B1 USED AS SEMICONDUCTORS; ELECTROCHROMIC AND ANTISTATIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed