SCHEMBL8693103

SCHEMBL8693103

CC1(Br)CCC(c2cc(C(F)F)nn2NS(=O)(=O)c2ccccc2)CC1Br

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL8691635 0.85 MAPK1 (0.33) KDM4EKMT2APTGS1PTGS2
SCHEMBL8689597 0.81 RAB9A (0.38) KDM4EKMT2APTGS1PTGS2
SCHEMBL8635861 0.80 ALDH1A1 (0.37) KDM4EKMT2APTGS1PTGS2
SCHEMBL6343151 0.74 PTGS2 (0.48) PTGS1PTGS2
SCHEMBL8689450 0.73 ALDH1A1 (0.46)
SCHEMBL8688860 0.68 PTGS2 (0.52) PTGS1PTGS2
SCHEMBL8635921 0.68 PTGS2 (0.46) PTGS1PTGS2
SCHEMBL7112165 0.66 PTGS2 (0.51) KDM4EKMT2APTGS1PTGS2
SCHEMBL8692224 0.66 PTGS2 (0.38) KDM4EPTGS1PTGS2
SCHEMBL8693447 0.66 PTGS2 (0.38) KMT2APTGS1PTGS2

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-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed