SCHEMBL12715542

SCHEMBL12715542

CCCCCCc1cc(-c2sc(-c3cnc(-c4cc(CCCCCC)c(-c5cc(CCCCCC)c(Br)s5)s4)cn3)cc2CCCCCC)sc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX5 P09917 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
▸ NFKB1 P19838 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NFKB2 Q00653 1/20 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
SCHEMBL15247276 0.83 ALOX5 (0.33) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL12715471 0.80 CYP3A4 (0.32) GPR35MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1419676 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL2491229 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL329156 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL1419425 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL1419440 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL1419514 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL14122091 0.80 ALOX5 (0.41) GPR35MAPTMEN1TP53CYP3A4
SCHEMBL12715541 0.80 GPR35 (0.36) GPR35MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923529-B2 Oligothiophene-arylene derivatives and organic thin film transistors using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-04-12 — — US disclosed
US-20090256143-A1 OLIGOTHIOPHENE-ARYLENE DERIVATIVES AND ORGANIC THIN FILM TRANSISTORS USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-10-15 — — US disclosed
US-7541424-B2 Oligothiophene-arylene derivatives and organic thin film transistors using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-06-02 — — US disclosed
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