SCHEMBL21909792

SCHEMBL21909792

O=C(Nc1ccc(F)cn1)c1ccc([S+]([O-])N2CCCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
KDM4E B2RXH2 1/20 0.42
F10 P00742 1/20 0.42
HCAR3 P49019 1/20 0.41
CXCR2 P25025 3/20 0.41
RORC P51449 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL665158 0.80 RORC (0.61) KDM4ERORCNPSR1TDP1
SCHEMBL21909802 0.80 MEN1 (0.53) RORCTDP1
SCHEMBL21376606 0.79 NR2F2 (0.48) NAMPTKDM4E
SCHEMBL21910102 0.78 NR0B1 (0.51)
SCHEMBL21376333 0.78 NPC1 (0.57) KDM4ETDP1
SCHEMBL21909798 0.75 MAPT (0.58)
SCHEMBL21376812 0.75 ALDH1A1 (0.60)
SCHEMBL21910769 0.75 POLB (0.39) KDM4ERORCNPSR1TDP1
SCHEMBL21376536 0.73 SMN1; SMN2 (0.63) NAMPTKDM4E
SCHEMBL21909747 0.73 NPC1 (0.57) KDM4ETDP1

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
EP-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 EP disclosed