SCHEMBL28679405

SCHEMBL28679405

O=C(NS(=O)(=O)c1cccs1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.63
SCN9A Q15858 1/20 0.63
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
RORA P35398 1/20 0.52
RORC P51449 1/20 0.52
RORB Q92753 1/20 0.52
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR2 P41597 1/20 0.45
PTGER3 P43115 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PKM P14618 2/20 0.44
USP2 O75604 1/20 0.44
USP8 P40818 1/20 0.44

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
SCHEMBL28678563 0.87 MAPT (0.61) SCN5ASCN9AKMT2AMEN1RORA
SCHEMBL28678568 0.87 PTGS2 (0.52) SCN5ASCN9AKMT2AMEN1ALDH1A1
SCHEMBL28683479 0.84 MEN1 (0.51) KMT2AMEN1ALDH1A1GAAPTGER3
SCHEMBL28684491 0.84 KMT2A (0.60) SCN5ASCN9AKMT2AMEN1ALDH1A1
SCHEMBL27179948 0.80 MEN1 (0.60) KMT2AMEN1RORARORCRORB
SCHEMBL30926493 0.80 MEN1 (0.60) KMT2AMEN1RORARORCRORB
SCHEMBL28685991 0.80 RAB9A (0.59) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL19475865 0.79 SCN9A (1.00) SCN5ASCN9A
SCHEMBL28702792 0.79 MAPT (0.58) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2200877 0.78 KMT2A (0.53) SCN5ASCN9AKMT2AMEN1RORA

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
CN-114031630-A Synthesis method of spiro thiophene sulfonamide compound 福州大学 2022-02-11 CN disclosed