SCHEMBL2744962

SCHEMBL2744962

C1=C(c2nc3cscc3nc2C2=CCCCC2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PSMB5 P28074 10/20 0.36
PSMB1 P20618 2/20 0.36
ELANE P08246 1/20 0.35
PTGER1 P34995 1/20 0.34
PTPN11 Q06124 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR2 O15552 1/20 0.32

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
SCHEMBL2744580 0.94 PTGER1 (0.33) JAK2JAK1JAK3TDP1PSMB5
SCHEMBL2745351 0.74
SCHEMBL7778748 0.73 PSMB5 (0.34) JAK2JAK1JAK3TDP1PSMB5
SCHEMBL2744834 0.73 PSMB5 (0.40) TDP1PSMB5PSMB1ALDH1A1CYP3A4
SCHEMBL296554 0.68 TYMP (0.42) JAK2JAK1JAK3TDP1PSMB5
SCHEMBL2744775 0.68
SCHEMBL7202418 0.68 TDP1 (0.44) JAK2JAK1JAK3TDP1PSMB5
SCHEMBL2745183 0.67 PDGFRB (0.32)
SCHEMBL11201526 0.66 TYMP (0.41) JAK2JAK1JAK3TDP1PSMB5
SCHEMBL3233362 0.66 TYMP (0.41) JAK2JAK1JAK3TDP1PSMB5

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