SCHEMBL15089945

SCHEMBL15089945

Bc1sc(-c2ccc(-c3cc(CCCCCC)c(Br)s3)s2)cc1CCCCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
GPR35 Q9HC97 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
SCHEMBL14015490 0.91 ALOX5 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL14881177 0.91 ALOX5 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL1492474 0.91 ALOX5 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL14122091 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL1419440 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL2491229 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL1419425 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL1419676 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL1419514 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL329156 0.85 ALOX5 (0.41) TYRMEN1TP53CYP3A4ALOX5

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-2797928-B1 NOVEL ORGANIC COMPOUND CANON KK (JP) 2017-03-29 EP disclosed
WO-2013099523-A1 NOVEL ORGANIC COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-07-04 WO disclosed