SCHEMBL11575826

SCHEMBL11575826

C=CCc1cc(CC=C)c(Br)c(-c2c(Br)c(CC=C)cc(CC=C)c2Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
POLB P06746 2/20 0.33
AKR1B1 P15121 2/20 0.33
MAPT P10636 5/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
XDH P47989 1/20 0.31
GAA P10253 3/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ALOX5 P09917 1/20 0.31
GABRB1 P18505 1/20 0.31
RXRA P19793 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL6846934 0.78 GABRA1 (0.38) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL44699 0.78 GABRA1 (0.48) GABRA1GABRB2POLBAKR1B1MAPT
SCHEMBL9485968 0.74 GABRA1 (0.41) GABRA1GABRB2POLBAKR1B1MAPT
SCHEMBL1624908 0.72 TDP1 (0.45) GABRA1GABRB2POLBCYP3A4CNR2
SCHEMBL11304232 0.72 CYP2C19 (0.39) GABRA1GABRB2POLBCYP3A4CYP1A2
SCHEMBL11306575 0.70 GABRA1 (0.54) GABRA1GABRB2AKR1B1MAPTKMT2A
SCHEMBL6278626 0.69 GABRA1 (0.41) GABRA1GABRB2POLBAKR1B1MAPT
SCHEMBL5481769 0.68 GABRA1 (0.38) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL1276109 0.67 GABRA1 (0.36) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL8665741 0.67 LMNA (0.41) GABRA1GABRB2POLBMAPTKMT2A

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-4170711-A FLAME RETARDANTS FOR POLYESTERS, POLYCARBONATES, AND POLYURETHANES GENERAL ELECTRIC COMPANY (US) 1979-10-09 US disclosed
US-4170711-A FLAME RETARDANTS FOR POLYESTERS, POLYCARBONATES, AND POLYURETHANES GENERAL ELECTRIC COMPANY (US) 1979-10-09 US disclosed