SCHEMBL14378751

SCHEMBL14378751

CCCCCCc1cc(Br)sc1-c1ccc(-c2sc(Br)cc2CCCCCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
GPR35 Q9HC97 5/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35
RARB P10826 1/20 0.34

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
SCHEMBL14564096 0.98 TSHR (0.39) TYRTSHRMEN1TP53CYP3A4
SCHEMBL12440895 0.94 MAPT (0.36) TYRTSHRMEN1TP53CYP3A4
SCHEMBL13429748 0.93 TYR (0.36) TYRTSHRMEN1TP53CYP3A4
SCHEMBL13430002 0.90 KDM4E (0.36) TYRTSHRMEN1TP53CYP3A4
SCHEMBL2363742 0.90 ALOX5 (0.41) TYRTSHRMEN1TP53CYP3A4
SCHEMBL4584517 0.90 ALOX5 (0.41) TYRTSHRMEN1TP53CYP3A4
SCHEMBL2308334 0.90 ALOX5 (0.41) TYRTSHRMEN1TP53CYP3A4
SCHEMBL27510160 0.88 ALOX5 (0.38) TYRTSHRMEN1TP53CYP3A4
SCHEMBL13429655 0.87 HTR2A (0.33) TYRTSHRMEN1TP53CYP3A4
SCHEMBL15724614 0.85 ALOX5 (0.39) TYRTSHRMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852922-A2 Mono-, oligo- and poly-bis(thienyl)arylenes and their use as charge transport materials Merck Patent GmbH (DE) 2007-11-07 EP disclosed
US-20070048637-A1 Arylamine polymer and organic thin film transistor RICOH COMPANY LIMITED (JP) 2007-03-01 US disclosed