SCHEMBL27913253

SCHEMBL27913253

C=CC(N1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 10/20 0.41
▸ CASP7 P55210 7/20 0.41
▸ CASP1 P29466 1/20 0.40
▸ CASP4 P49662 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ TTR P02766 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL27605812 0.82 PARG (0.40) —
SCHEMBL28805178 0.78 CASP3 (0.49) CASP3CASP7CASP1CASP9
SCHEMBL27951598 0.77 CHRM2 (0.36) —
SCHEMBL28086690 0.75 CASP7 (0.53) CASP3CASP7CASP1
SCHEMBL27593641 0.75 ALDH1A1 (0.39) —
SCHEMBL27593507 0.75 CHRM2 (0.39) CASP7CASP1
SCHEMBL27788104 0.74 CHRM2 (0.50) —
SCHEMBL28813536 0.74 ALDH1A1 (0.36) —
SCHEMBL27669965 0.73 ADRA2C (0.42) —
SCHEMBL27845916 0.72 SMN1; SMN2 (0.40) —

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-103183631-A Novel isatin-5-sulfonamide derivative and application of same in preparation of medicines used for treating atypical pneumonia TIANJIN INT JOINT ACADEMY BIOTECHNOLOGY & MEDICINE 2013-07-03 — — CN disclosed
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