SCHEMBL9780406

SCHEMBL9780406

BrC1(Br)C(Br)(Br)C(Br)(Oc2ccccc2)C(Br)(Br)C(Br)(Oc2ccccc2)C1(Br)Br

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.35
KCNA3 P22001 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1H2 P55055 1/20 0.30
BAX Q07812 1/20 0.30
MAOA P21397 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
SCHEMBL9780472 0.95 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL9780504 0.81
SCHEMBL9780377 0.76
SCHEMBL5368293 0.74 TDP1 (0.41)
SCHEMBL20270422 0.72 LTA4H (0.43) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL6687292 0.67 LTA4H (0.30) LTA4HTSHR
Diphenylether SCHEMBL3394132 0.60 LTA4H (0.92) LTA4HTSHRCA4NR1H2BAX
Diphenylether SCHEMBL27721571 0.60 LTA4H (0.92) LTA4HTSHRCA4NR1H2BAX
SCHEMBL18347310 0.60 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL9860086 0.58

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