SCHEMBL4946932

SCHEMBL4946932

Brc1ccc(C[CH]c2ccccc2Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.37
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
IDO1 P14902 4/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOB P27338 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IKBKB O14920 1/20 0.33
DYRK2 Q92630 1/20 0.33
CXCR3 P49682 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
MAOA P21397 1/20 0.33
PDPK1 O15530 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL9355554 0.88 MAOB (0.46) HSD11B1ALDH1A1MAOBMAPK1TDP1
SCHEMBL8207604 0.75 ALDH1A1 (0.42) HTR2ATAAR1IDO1ALDH1A1MAOB
SCHEMBL8855253 0.73 PNMT (0.43) TAAR1IDO1ALDH1A1
SCHEMBL27883878 0.72 HSD11B1 (0.43) HSD11B1TAAR1IDO1ALDH1A1MAPK1
SCHEMBL4892657 0.72 HSD11B1 (0.43) HSD11B1TAAR1ALDH1A1IKBKBDYRK2
SCHEMBL8199494 0.71 MAOB (0.46) HTR2AALDH1A1MAOBMAPK1TDP1
SCHEMBL27779232 0.71 TAAR1 (0.38) TAAR1ALDH1A1MAOBGRM2
SCHEMBL27814021 0.71 TAAR1 (0.38) HSD11B1TAAR1MAOBMAPK1GPR52
SCHEMBL27800444 0.71 TP53 (0.39) HSD11B1TAAR1ALDH1A1TDP1GPR52
SCHEMBL6231872 0.70 MAOB (0.71) HTR2ATAAR1IDO1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449539-B2 Silsesquioxane derivative and production process for the same CHISSO CORPORATION (JP) 2008-11-11 US disclosed