SCHEMBL12814481

SCHEMBL12814481

CCCCCCCCCCCCCCC(=O)c1cc(Br)c(Br)s1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
FFAR1 O14842 1/20 0.45
PLA2G2A P14555 1/20 0.45
PLA2G5 P39877 1/20 0.45
CA2 P00918 1/20 0.44
HSD17B3 P37058 6/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL27984671 1.00 GSK3B (0.57) GSK3BFFAR1PLA2G2APLA2G5CA2
SCHEMBL23330896 0.86 GSK3B (0.65) GSK3BHSD17B3HTTMEN1ALDH1A1
SCHEMBL20504178 0.86 PLA2G2A (0.44) GSK3BFFAR1PLA2G2APLA2G5CA2
SCHEMBL23300728 0.81 GSK3B (0.54) GSK3BHTTMEN1ALDH1A1MAPT
SCHEMBL13919889 0.79 GSK3B (0.69) GSK3BHTTMEN1ALDH1A1MAPT
SCHEMBL24722219 0.79 GSK3B (0.51) GSK3BHTTMEN1ALDH1A1MAPT
SCHEMBL24722218 0.79 GSK3B (0.51) GSK3BHTTMEN1ALDH1A1MAPT
SCHEMBL16938961 0.79 PLA2G2A (0.41) FFAR1PLA2G2APLA2G5CA2HSD17B3
SCHEMBL17181083 0.79 PLA2G2A (0.41) FFAR1PLA2G2APLA2G5CA2HSD17B3
SCHEMBL17190866 0.79 PLA2G2A (0.41) FFAR1PLA2G2APLA2G5CA2HSD17B3

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
WO-2012131084-A1 TRIARYL- AND TRIHETEROARYL- BENZENE MONOMERS AND POLYMERS IMPERIAL INNOVATIONS LIMITED (GB) 2012-10-04 WO disclosed