SCHEMBL11819366

SCHEMBL11819366

COc1ccc(C=CBr)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
LMNA P02545 3/20 0.61
CAPN1 P07384 1/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
ABCB1 P08183 1/20 0.54
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CHAT P28329 1/20 0.51
IDO1 P14902 1/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
EP300 Q09472 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
BACE1 P56817 1/20 0.47
NQO1 P15559 1/20 0.44
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL11821979 1.00 MAPT (0.61) MAPTLMNACAPN1CTSLCTSB
SCHEMBL7915398 0.86 MAPT (0.63) MAPTLMNACAPN1CTSLCTSB
SCHEMBL7915395 0.86 MAPT (0.63) MAPTLMNACAPN1CTSLCTSB
SCHEMBL31618160 0.83 MAPT (0.59) MAPTLMNACAPN1CTSLCTSB
SCHEMBL2604952 0.83 MAPT (0.79) MAPTLMNACAPN1CTSLCTSB
SCHEMBL2604932 0.81 LMNA (0.77) MAPTLMNACAPN1CTSLCTSB
SCHEMBL11670549 0.80 MAPT (0.60) MAPTLMNACAPN1CTSLCTSB
SCHEMBL11671491 0.80 MAPT (0.60) MAPTLMNACAPN1CTSLCTSB
SCHEMBL10969530 0.80 MAPT (0.56) MAPTLMNACAPN1CTSLCTSB
SCHEMBL10969555 0.80 MAPT (0.56) MAPTLMNACAPN1CTSLCTSB

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-3985896-A Benzophenalenofurans SMITHKLINE CORPORATION (US) 1976-10-12 US disclosed