SCHEMBL4070200

SCHEMBL4070200

O=S(=O)(Cl)c1cccc2[c]cccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CDK2 P24941 1/20 0.32
TTR P02766 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1807070 0.81 TTR (0.50) CA1CA2CA9CDK2TTR
SCHEMBL294489 0.81 CA2 (0.53) CA1CA2CA9CDK2TTR
SCHEMBL2534154 0.81 CA2 (0.32) CA1CA2CA9CDK2TTR
SCHEMBL3133065 0.77 CDK2 (0.46) CA1CA2CA9CDK2TTR
SCHEMBL29904571 0.77 CDK2 (0.46) CA1CA2CA9CDK2TTR
SCHEMBL2318595 0.73 CYP1A2 (0.32)
SCHEMBL18020591 0.71 CYP1A2 (0.54) CA1CA2CA9CDK2TTR
SCHEMBL57524 0.70 CA1 (0.63) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL31605318 0.70 CA1 (0.63) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL29409606 0.70 CA1 (0.63) CA1CA2CA9ALDH1A1HSD17B10

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
CN-117120422-A Substituted naphthyl P38 alpha mitogen-activated protein kinase inhibitors GEN1E生命科学公司 2023-11-24 CN disclosed
EP-2036888-A1 Naphthyl-substituted sulfonamides Laboratorios del Dr. Esteve S.A. (ES) 2009-03-18 EP disclosed