SCHEMBL13410257

SCHEMBL13410257

CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(/C=C/C=C/c4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sccc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GPR35 Q9HC97 2/20 0.30

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
SCHEMBL13410220 0.96 MEN1 (0.32) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL13410118 0.92 — —
SCHEMBL2592980 0.89 DPP4 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL13410255 0.89 — —
SCHEMBL13410317 0.89 — —
SCHEMBL12913130 0.88 GPR35 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL18045604 0.88 GPR35 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL13410122 0.86 — —
SCHEMBL18090330 0.86 DPP4 (0.32) GPR35
SCHEMBL13410276 0.86 — —

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
US-8441002-B2 Organic semiconductor composite, organic transistor material and organic field effect transistor TORAY INDUSTRIES, INC. (JP) 2013-05-14 — — US disclosed
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 — — US disclosed
Send feedback