SCHEMBL31420153

SCHEMBL31420153

NCC(F)(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
SOS1 Q07889 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38

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
SCHEMBL31420178 0.82 ALDH1A1 (0.47) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL31420188 0.80 CA1 (0.44) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7937243 0.76 ALDH1A1 (0.52) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL571463 0.72 MMP2 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL9457440 0.72 HSD11B1 (0.46) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL14194257 0.72 MMP2 (0.46) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL9489943 0.71 CA1 (0.42) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7940614 0.70 MMP2 (0.45) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL7945002 0.70 ALDH1A1 (0.61) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL8849931 0.69 HSD11B1 (0.43) ALDH1A1F2PRSS1PRSS2PRSS3

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-119528776-A Mono-fluoro diaryl sulfone ethylamine derivative and preparation method thereof 天津大学 2025-02-28 CN disclosed