SCHEMBL4288397

SCHEMBL4288397

CCCCCCCCCCCCc1cc(Br)sc1-c1nc2cc3sc(-c4sc(Br)cc4CCCCCCCCCCCC)nc3cc2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
TLR8 Q9NR97 9/20 0.33
GPR35 Q9HC97 1/20 0.33
MAPT P10636 4/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL12668888 1.00 GAA (0.35) GAANPC1RAB9AMAPK1TLR8
SCHEMBL9885158 0.86 GAA (0.37) GAANPC1RAB9AMAPK1TLR8
SCHEMBL9885159 0.86 GAA (0.37) GAANPC1RAB9AMAPK1TLR8
SCHEMBL4297344 0.85 GAA (0.36) GAANPC1RAB9AMAPK1TLR8
SCHEMBL15940364 0.85 ALOX5 (0.33) GAATLR8GPR35MAPTCYP3A4
SCHEMBL14122782 0.85 ALOX5 (0.33) GAATLR8GPR35MAPTCYP3A4
SCHEMBL371666 0.85 ALOX5 (0.33) GAATLR8GPR35MAPTCYP3A4
SCHEMBL163731 0.85 ALOX5 (0.33) GAATLR8GPR35MAPTCYP3A4
SCHEMBL10301450 0.85 ALOX5 (0.33) GAATLR8GPR35MAPTCYP3A4
SCHEMBL12957134 0.82 MAPT (0.32) GAANPC1RAB9ATLR8GPR35

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-2085401-B1 Benzobisthiazole compound, benzobisthiazole polymer, organic film including the compound or polymer and transistor including the organic film RICOH CO LTD (JP) 2014-07-30 EP disclosed
EP-2085401-A1 Benzobisthiazole compound, benzobisthiazole polymer, organic film including the compound or polymer and transistor including the organic film Ricoh Company, Ltd. (JP) 2009-08-05 EP disclosed