SCHEMBL8656118

SCHEMBL8656118

O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1-c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.52
KAT6A Q92794 1/20 0.52
NAT1 P18440 1/20 0.52
ACLY P53396 1/20 0.47
ERBB2 P04626 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
KDM1A O60341 3/20 0.46
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYTH2 Q99418 1/20 0.43

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
SCHEMBL8657558 0.91 ERBB2 (0.47) PGRKAT6ANAT1ACLYERBB2
SCHEMBL8659718 0.86 KAT6A (0.54) PGRKAT6AMAPTCYTH2
SCHEMBL8660105 0.86 PTGS2 (0.47) KAT6AACLYERBB2HSP90AA1HSP90AB1
SCHEMBL8662846 0.85 MCL1 (0.55) KAT6ALMNAMAPTCYTH2
SCHEMBL8662871 0.85 NAT1 (0.49) PGRKAT6ANAT1ERBB2HSP90AA1
SCHEMBL8657424 0.84 KMO (0.51) KAT6AACLYCYTH2
SCHEMBL8661400 0.84 STAT3 (0.48) KAT6AACLYCYTH2
SCHEMBL8661364 0.84 KAT6A (0.49) KAT6AACLYERBB2HSP90AA1HSP90AB1
SCHEMBL8658238 0.83 ALDH1A1 (0.43) KAT6AACLYCYTH2
SCHEMBL8659244 0.83 ALDH1A1 (0.46) KAT6ALMNAMAPTTDP1CYTH2

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
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed