SCHEMBL2744822

SCHEMBL2744822

c1ccc(-c2nc3cscc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
GAA P10253 3/20 0.61
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 5/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 4/20 0.51
HSD17B10 Q99714 4/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
GFER P55789 2/20 0.51
PKN1 Q16512 1/20 0.51
PKN2 Q16513 1/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
RCE1 Q9Y256 1/20 0.51

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
Benzene SCHEMBL28005151 0.76 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL105095 0.76 NPC1 (1.00) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL15775394 0.76 TNKS (0.68) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL15775391 0.76 TNKS (0.46) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3132123 0.75 NPC1 (0.68) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL4775610 0.75 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
Potassium SCHEMBL4891434 0.75 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2147022 0.75 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL467859 0.75 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1
Hydrogen Sulfide SCHEMBL28075074 0.75 NPC1 (0.96) NPC1RAB9AGAAKDM4EALDH1A1

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