SCHEMBL14948463

SCHEMBL14948463

BrCc1ccc(N(c2ccc(I)cc2)c2ccc(I)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.37
IDO1 P14902 2/20 0.37
PYCR1 P32322 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL29178568 0.88 ALDH1A1 (0.48) TRPA1ALDH1A1TSHRCYP3A4CES2
SCHEMBL127491 0.85
SCHEMBL985323 0.80 APP (0.44) APPALDH1A1TSHRCYP3A4IDO1
SCHEMBL7147284 0.79 ALDH1A1 (0.59) APPTRPA1ALDH1A1TSHRCYP3A4
SCHEMBL14948455 0.79 ALDH1A1 (0.41) TRPA1ALDH1A1TSHRIDO1PYCR1
SCHEMBL29582375 0.79 ALDH1A1 (0.59) APPTRPA1ALDH1A1TSHRCYP3A4
SCHEMBL7763204 0.78 TRPA1 (0.43) APPTRPA1ALDH1A1TSHRCYP3A4
SCHEMBL16656239 0.77 APP (0.39) APPTSHRCYP3A4IDO1
SCHEMBL14948424 0.77 ALDH1A1 (0.42) TRPA1ALDH1A1TSHRIDO1CYP1A2
SCHEMBL20408084 0.76 LPL (0.47) APPSIGMAR1

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
US-9184388-B2 Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-10 US disclosed
US-20130119369-A1 LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed