SCHEMBL7777607

SCHEMBL7777607

CCCCCCCCCCCCCCCC(=O)Nc1c(I)sc(I)c1NC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
FAAH O00519 2/20 0.47
DEGS1 O15121 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
CETP P11597 1/20 0.44
SOAT1 P35610 3/20 0.43
POLB P06746 1/20 0.43
SOAT2 O75908 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ENPP2 Q13822 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
EP300 Q09472 1/20 0.42

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
SCHEMBL7777602 1.00 HSP90AA1 (0.48) HSP90AA1FAAHDEGS1KMT2ATDP1
SCHEMBL10665672 0.83 HSP90AA1 (0.61) HSP90AA1FAAHDEGS1KMT2ALMNA
SCHEMBL10667145 0.83 HSP90AA1 (0.61) HSP90AA1FAAHDEGS1KMT2ALMNA
SCHEMBL9446274 0.71 HPGD (0.48) HSP90AA1FAAHDEGS1KMT2ATDP1
SCHEMBL9446381 0.71 HPGD (0.48) HSP90AA1FAAHDEGS1KMT2ATDP1
SCHEMBL9446323 0.71 HPGD (0.48) HSP90AA1FAAHDEGS1KMT2ATDP1
SCHEMBL9446346 0.71 HPGD (0.48) HSP90AA1FAAHDEGS1KMT2ATDP1
SCHEMBL845734 0.71 LMNA (0.54) HSP90AA1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL14106875 0.71 EP300 (0.58) DEGS1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL9446341 0.71 HPGD (0.48) HSP90AA1FAAHDEGS1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0885251-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997032914-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed