SCHEMBL8129030

SCHEMBL8129030

Brc1cc(Br)c(OP(Oc2c(Br)cc(Br)cc2Br)Oc2c(Br)cc(Br)cc2Br)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ALOX15 P16050 5/20 0.36
▸ ALOX12 P18054 3/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ AKR1B1 P15121 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL7738115 0.79 TDP1 (0.42) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL11677131 0.77 MAPT (0.33) TDP1ALDH1A1L3MBTL1CA2CA4
SCHEMBL8122769 0.74 TDP1 (0.36) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL3803700 0.73 TDP1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL27503034 0.71 TSHR (0.43) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL28973883 0.69 TDP1 (0.41) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL301662 0.69 HSD17B10 (0.59) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL11451272 0.67 TSHR (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL94118 0.67 KLK1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL457449 0.67 TDP1 (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52028539-A — — None — — JP disclosed
US-6103891-A Method for the synthesis of nucleotide or oligonucleotide phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-08-15 — — US disclosed
JP-S5228539-A NEW FLAME RETARDER OF ORGANIC PHOSPHOROUS ESTER KAWAGUCHI KAGAKU KOGYO KK 1977-03-03 — — JP disclosed
US-3966697-A CATALYST OF COBALT COMPOUND, ORGANOALUMINUM HALIDE, PHOSPHITE, H-ACIDIC COMPOUND CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-06-29 — — US disclosed
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