SCHEMBL5010127

SCHEMBL5010127

Brc1cc2cccc3c4cc(Br)cc5cccc(c(c1)c23)c54

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 6/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
THRB P10828 1/20 0.42
CYP2A6 P11509 1/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1B1 Q16678 2/20 0.39
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 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
SCHEMBL27671350 0.98 CYP1A2 (0.47) NPSR1CYP1A2ERBB2FYNMAOA
SCHEMBL27995795 0.85 CYP1A2 (0.46) NPSR1CYP1A2ERBB2FYNMAOA
SCHEMBL5010138 0.84 NPSR1 (0.35) NPSR1CYP1A2ERBB2FYNMAOA
SCHEMBL730070 0.77 ALDH1A1 (0.61) NPSR1CYP1A2ERBB2FYNMAOA
SCHEMBL1004330 0.76 NPSR1 (0.45) NPSR1CYP1A2ERBB2FYNMAOA
SCHEMBL5466666 0.73 ALDH1A1 (0.56) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL634848 0.73 ALDH1A1 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL26440 0.73 ALDH1A1 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29906043 0.73 ALDH1A1 (0.71) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL6538859 0.73 ALDH1A1 (0.71) CYP1A2ERBB2FYNMAOAACHE

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080042129-A1 Organic Thin Film Transistor and Its Fabrication Method SHARP KABUSHIKI KAISHA (JP) 2008-02-21 US disclosed
US-20080042129-A1 Organic Thin Film Transistor and Its Fabrication Method SHARP KABUSHIKI KAISHA (JP) 2008-02-21 US disclosed