SCHEMBL11577916

SCHEMBL11577916

COCc1c(Br)c(Br)c(COC)c(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA4 P22748 3/20 0.42
CA1 P00915 2/20 0.42
CA6 P23280 2/20 0.42
MAOA P21397 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.32
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
AXL P30530 1/20 0.31
PTK2 Q05397 1/20 0.31
AURKB Q96GD4 1/20 0.31
ALK Q9UM73 1/20 0.31
MAPK1 P28482 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
SCHEMBL24418066 0.97 CA2 (0.40) CA2CA4CA1CA6MAOA
SCHEMBL9813429 0.77 IGF1R (0.44) CA2CA4CA1CA6MAOA
SCHEMBL4799665 0.69 IDO1 (0.37) KDM4EHPGDALDH1A1
SCHEMBL9685153 0.69 IGF1R (0.41) KDM4EHPGDALDH1A1HSD17B10IGF1R
SCHEMBL23638591 0.68 HPGD (0.42) KDM4EHPGDALDH1A1HSD17B10
SCHEMBL31128348 0.67 ALDH1A1 (0.35) KDM4EHPGDALDH1A1HSD17B10IGF1R
SCHEMBL16153724 0.67 MAOA (0.48) CA2CA4CA1CA6MAOA
SCHEMBL19254180 0.67 IGF1R (0.40) KDM4EHPGDALDH1A1HSD17B10IGF1R
SCHEMBL14031539 0.67 IGF1R (0.40) KDM4EHPGDALDH1A1HSD17B10IGF1R
SCHEMBL16850514 0.67 IGF1R (0.45) MAOADRD4DRD3HPGDALDH1A1

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-4107104-A TETRABROMOXYLENEDIOL - FLAME-RETARDANT FOR POLYURETHANES ETHYL CORPORATION (US) 1978-08-15 US disclosed