SCHEMBL28086690

SCHEMBL28086690

CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP7 P55210 2/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ ATM Q13315 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL12793853 0.86 GAA (0.63) CASP7CASP3TSHRSMN1; SMN2HSD17B10
SCHEMBL5605322 0.77 POLB (0.61) CASP7ATMTSHRCASP1SMN1; SMN2
SCHEMBL10064237 0.76 PKM (0.63) CASP7CASP3SMN1; SMN2
SCHEMBL18954594 0.75 CASP3 (0.57) CASP7CASP3CASP1
SCHEMBL27913253 0.75 CASP3 (0.41) CASP7CASP3CASP1
SCHEMBL16026507 0.74 ATM (0.58) ATMTSHRSMN1; SMN2HTTPOLB
SCHEMBL8263983 0.74 CASP3 (0.67) CASP7CASP3CASP1
SCHEMBL5988598 0.73 CASP3 (0.79) CASP7CASP3TSHRCASP1SMN1; SMN2
SCHEMBL1684564 0.73 TSHR (0.67) CASP7ATMTSHRCASP1SMN1; SMN2
SCHEMBL4898697 0.73 CASP3 (0.54) CASP7CASP3CASP1HTT

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-B Isatin-5-sulfonic acid amide derivatives and the application in the medicine of preparation treatment severe acute respiratory syndrome thereof 天津市国际生物医药联合研究院 2016-08-24 — — CN disclosed
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