SCHEMBL8839698

SCHEMBL8839698

O=C1OCCC1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
PHGDH O43175 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
SCHEMBL18780441 0.93 MAPT (0.43) CRHBPCRHR2MCOLN3HSP90AA1MMP2
SCHEMBL17329231 0.86 MEN1 (0.52)
SCHEMBL17329230 0.86 MEN1 (0.52)
SCHEMBL4669533 0.85 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17329197 0.85 PIK3CD (0.46) MMP2MMP9
SCHEMBL7417712 0.85 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9153465 0.85 ALDH1A1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17329225 0.85 PIK3CD (0.46) MMP2MMP9
SCHEMBL17205636 0.84 USP2 (0.48) MMP2MMP9PSEN1PSEN2APH1B
SCHEMBL18709336 0.83 CA12 (0.55)

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-5650428-A THROMBOXANE A2 ANTAGONISM NKK CORPORATION (JP) 1997-07-22 US disclosed