SCHEMBL7440426

SCHEMBL7440426

O=C1Nc2ccc(S(=O)(=O)N3CCCCC3CCO)cc2C1(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.51
CASP7 P55210 10/20 0.51
CASP1 P29466 6/20 0.51
CASP9 P55211 3/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
GAA P10253 1/20 0.46
CASP2 P42575 3/20 0.44
CASP6 P55212 3/20 0.44
CASP4 P49662 2/20 0.44
CASP8 Q14790 2/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
HTR7 P34969 2/20 0.42

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
SCHEMBL6954700 0.88 CASP3 (0.49) CASP3CASP7CASP1CASP9GAA
SCHEMBL8307047 0.88 CASP3 (0.49) CASP3CASP7CASP1CASP9GAA
SCHEMBL7433422 0.81 PSEN1 (0.56) CASP3CASP7CASP9PSEN1PSEN2
SCHEMBL8307728 0.81 CASP3 (0.68) CASP3CASP7CASP1CASP9
SCHEMBL6947728 0.81 CASP3 (0.68) CASP3CASP7CASP1CASP9
SCHEMBL6951145 0.78 FKBP1A (0.58) CASP3CASP7GAAPOLB
SCHEMBL6954598 0.76 GAA (0.63) CASP3CASP7CASP1CASP9GAA
SCHEMBL7077522 0.75 GAA (0.61) CASP3CASP7CASP1CASP9GAA
SCHEMBL5808164 0.74 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7444177 0.74 CYP3A4 (0.57) CASP3CASP7CASP1CASP9GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US claimed
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed