SCHEMBL18955012

SCHEMBL18955012

NC(=S)N(N)c1ccccc1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.42
▸ CA1 P00915 10/20 0.42
▸ CA9 Q16790 10/20 0.42
▸ CA12 O43570 6/20 0.42
▸ CA7 P43166 4/20 0.42
▸ CA6 P23280 3/20 0.42
▸ CA5A P35218 3/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA5B Q9Y2D0 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ LDHA P00338 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ STAT3 P40763 1/20 0.34

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
SCHEMBL16041473 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL29581330 0.71 CA2 (0.49) CA2CA1CA9CA12CA7
SCHEMBL7633146 0.71 CA2 (0.49) CA2CA1CA9CA12CA7
SCHEMBL2117356 0.71 CA2 (0.67) CA2CA1CA9CA12CA7
SCHEMBL29469920 0.71 CA2 (0.67) CA2CA1CA9CA12CA7
SCHEMBL27989103 0.70 CA2 (0.40) CA2CA1CA9CA12CA7
SCHEMBL1520893 0.69 SIGMAR1 (0.43) ALDH1A1
SCHEMBL10800256 0.69 TTR (0.42) CA2CA1CA9CA5AALDH1A1
SCHEMBL18092286 0.69 NPSR1 (0.42) CA2CA1CA9CA12CA7
SCHEMBL202947 0.68 CA2 (0.70) CA2CA1CA9CA12CA7

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
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 — — WO disclosed
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