SCHEMBL29940740

SCHEMBL29940740

OB(O)Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX15 P16050 5/20 0.38
▸ ALOX12 P18054 3/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ ERN1 O75460 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL31442120 0.75 — —
SCHEMBL2085145 0.74 TSHR (0.33) TDP1CYP3A4TSHRCA2
Zinc Ion SCHEMBL28496698 0.73 ALOX15 (0.37) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL3803700 0.69 TDP1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL27503034 0.67 TSHR (0.43) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL6678965 0.67 APEX1 (0.41) TDP1ERN1AKR1B1MAPTCA2
SCHEMBL4578633 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31322177 0.65 ERN1 (0.31) ERN1
SCHEMBL29112060 0.65 ALDH1A1 (0.33) TDP1CYP3A4TSHRALDH1A1MAPK1
SCHEMBL29706573 0.65 ALDH1A1 (0.33) TDP1CYP3A4TSHRALDH1A1MAPK1

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
CN-112195532-B Flame-retardant polyester female yarn and preparation process thereof 杭州成江纺织有限公司 2022-10-21 — — CN disclosed
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