SCHEMBL5230563

SCHEMBL5230563

O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccn2)s1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.66
PFKFB3 Q16875 2/20 0.60
GHSR Q92847 8/20 0.51
MAPT P10636 1/20 0.51
CAPN1 P07384 1/20 0.49
MLNR O43193 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 1/20 0.46
CNKSR1 Q969H4 2/20 0.43
IDH2 P48735 1/20 0.43
PKM P14618 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
SCHEMBL2870078 0.83 RXFP1 (0.52) RXFP1PFKFB3GHSRMAPTCAPN1
SCHEMBL12335544 0.81 RXFP1 (0.59) RXFP1PFKFB3GHSRMLNRCYP2D6
SCHEMBL29254391 0.80 RXFP1 (1.00) RXFP1PFKFB3GHSRCYP2D6CNKSR1
SCHEMBL12334571 0.79 RXFP1 (0.57) RXFP1PFKFB3GHSRMLNRCYP2D6
SCHEMBL13633888 0.78 GABRA1 (0.67) RXFP1PFKFB3MAPTCYP2D6
SCHEMBL14014137 0.78 PFKFB3 (0.62) RXFP1PFKFB3GHSRMAPTMLNR
SCHEMBL788488 0.75 PFKFB3 (1.00) RXFP1PFKFB3GHSRMAPTMLNR
SCHEMBL5233621 0.75 SMN1; SMN2 (0.53) MAPT
SCHEMBL5229993 0.75 PPARG (0.55) PFKFB3MAPT
SCHEMBL5228507 0.74 HTT (0.58) MAPTPKM

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-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed