SCHEMBL13617006

SCHEMBL13617006

Cc1ccccc1C1c2ccccc2C(C)c2c(CBr)ccc(CBr)c21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL13617007 0.82
SCHEMBL13677516 0.81 MEN1 (0.44) HTR2CHTR2AHTR2BGAAMEN1
SCHEMBL13369485 0.71 GAA (0.33) HTR2CHTR2AHTR2BGAAMEN1
SCHEMBL13434364 0.67 HTR2C (0.35) HTR2CHTR2AHTR2BGAAMEN1
SCHEMBL12446529 0.67 ALDH1A1 (0.42) HTR2CHTR2AHTR2BGAAMEN1
SCHEMBL12417980 0.66 MAPT (0.40) HTR2AGAAALDH1A1TSHR
SCHEMBL13434362 0.66 GAA (0.42) HTR2CHTR2BGAAMEN1KMT2A
SCHEMBL24812531 0.65 MAOA (0.39) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL13677517 0.64 KDM4E (0.34)
SCHEMBL29502975 0.62

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
EP-2116528-A1 Method of preparing derivatives of poly(arylene vinylene) and method of preparing an electronic device including same IMEC (BE) 2009-11-11 EP disclosed