SCHEMBL9780501

SCHEMBL9780501

Brc1ccc(Oc2c(Br)c(Br)c(Br)c(Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c2Br)c(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 7/20 0.42
ALOX12 P18054 4/20 0.42
AKR1B1 P15121 3/20 0.41
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9780376 0.98 TDP1 (0.44) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL165195 0.96 TDP1 (0.46) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL29492146 0.81 TDP1 (0.55) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL4190024 0.81 TDP1 (0.55) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL10783026 0.76 ALOX15 (0.38) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL752948 0.76 ALOX15 (0.39) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL30076240 0.76 ALOX15 (0.39) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL752753 0.75 TDP1 (0.76) TDP1ALOX15ALOX12AKR1B1
SCHEMBL9780403 0.74 ALOX15 (0.42) TDP1ALOX15ALOX12AKR1B1ALDH1A1
SCHEMBL29289454 0.74 TDP1 (0.38) TDP1ALOX15ALOX12AKR1B1ALDH1A1

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-4981890-A POLYHALOAROMATIC AND AROMATIC BIS-SULFONAMIDE ETHYL CORPORATION (US) 1991-01-01 US disclosed
US-4957957-A Polymer compositions containing aromatic sulfonamide ETHYL CORPORATION (US) 1990-09-18 US disclosed