SCHEMBL29634824

SCHEMBL29634824

OCC(O)c1cc(Br)c(Br)c(Br)c1Br

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 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
SCHEMBL7149093 0.83 ADRA2A (0.39) TDP1
SCHEMBL5044807 0.78
SCHEMBL4601560 0.75 TDP1 (0.37) TDP1AKR1B1CA1CA2CA4
SCHEMBL11660852 0.71 TDP1 (0.32) TDP1
SCHEMBL4455527 0.69 TDP1 (0.40) TDP1AKR1B1CA1CA2CA4
SCHEMBL328794 0.69 TDP1 (0.40) TDP1AKR1B1CA1CA2CA4
SCHEMBL11663568 0.67 TDP1 (0.32) TDP1
SCHEMBL8373912 0.67 TDP1 (0.39) TDP1AKR1B1CA2CA4
SCHEMBL10455644 0.67 GABRA1 (0.41) TDP1AKR1B1CA1CA2CA4
SCHEMBL31349336 0.67 GABRA1 (0.41) TDP1AKR1B1CA1CA2CA4

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-110799563-B Flame retardant polyurethane foam 雅宝公司 2022-06-03 CN disclosed