SCHEMBL8661104

SCHEMBL8661104

O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1-c1cc(F)c(F)c(F)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYTH2 Q99418 2/20 0.48
FFAR4 Q5NUL3 2/20 0.46
SLC40A1 Q9NP59 1/20 0.44
METAP2 P50579 1/20 0.43
IL1RN P18510 1/20 0.42
KEAP1 Q14145 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
MCL1 Q07820 1/20 0.42
G6PD P11413 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL8657865 0.92 CYTH2 (0.49) CYTH2FFAR4METAP2MCL1TSHR
SCHEMBL8661452 0.90 SLC40A1 (0.45) CYTH2FFAR4SLC40A1METAP2TSHR
SCHEMBL8661174 0.89 CYTH2 (0.43) CYTH2FFAR4SLC40A1METAP2IL1RN
SCHEMBL8661400 0.89 STAT3 (0.48) CYTH2FFAR4METAP2IL1RNKEAP1
SCHEMBL8660183 0.88 CYTH2 (0.48) CYTH2FFAR4SLC40A1METAP2IL1RN
SCHEMBL8661056 0.88 CYTH2 (0.43) CYTH2FFAR4METAP2MCL1
SCHEMBL8660191 0.88 STAT3 (0.43) CYTH2FFAR4TSHRMEN1KMT2A
SCHEMBL8660475 0.87 FFAR4 (0.56) CYTH2FFAR4METAP2MCL1TSHR
SCHEMBL8657558 0.87 ERBB2 (0.47) CYTH2FFAR4MEN1KMT2AHPGD
SCHEMBL8661428 0.87 CYTH2 (0.54) CYTH2FFAR4SLC40A1METAP2MCL1

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