SCHEMBL3418093

SCHEMBL3418093

CC(c1cccc(-c2ccccc2)c1Br)c1cccc(-c2ccccc2)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CDC25B P30305 2/20 0.34
CDC25A P30304 1/20 0.34
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
PTGS2 P35354 1/20 0.33
BACE1 P56817 1/20 0.33
ADRA2A P08913 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
SCHEMBL28343098 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL429933 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL11043252 0.76 MMP12 (0.41) ALDH1A1PDCD1CD274BACE1HNF4A
SCHEMBL28343102 0.75 ALDH1A1 (0.37) ALDH1A1MAPK1PDCD1CD274CDC25B
SCHEMBL9488102 0.74 CA12 (0.43) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL8471207 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL4588816 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL20836065 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL29610117 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1PDCD1CD274HSD17B10
SCHEMBL1567124 0.72 CA12 (0.46) ALDH1A1MAPK1HSD17B10HPGDBCL2L1

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-2143764-A1 Antistatic flame retardant resin composition and methods for manufacture thereof Sabic Innovative Plastics IP B.V. (NL) 2010-01-13 EP disclosed