SCHEMBL11489030

SCHEMBL11489030

CCCCCCS(=O)(=O)c1nnc(N(C)C(=O)N(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.36
▸ THRA P10827 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA3 P07451 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA6 P23280 2/20 0.32
▸ CA5A P35218 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA13 Q8N1Q1 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CA5B Q9Y2D0 2/20 0.32
▸ EPHX2 P34913 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ FAAH O00519 2/20 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
SCHEMBL11492503 1.00 THRB (0.36) THRBTHRATXNRD1CA12CA1
SCHEMBL11486877 0.99 THRB (0.34) THRBTHRATXNRD1CA12CA1
SCHEMBL11486529 0.95 MAPT (0.32) THRBTHRACA1CA2CA4
SCHEMBL11492782 0.89 KDM4E (0.32) CA1CA2CA4CA9MAPT
SCHEMBL11722437 0.85 CYP3A4 (0.46) THRBTHRATXNRD1CA12CA1
SCHEMBL11722353 0.85 CYP3A4 (0.46) THRBTHRATXNRD1CA12CA1
SCHEMBL11486924 0.84 CA1 (0.33) CA1CA2CA4CA9
SCHEMBL11501254 0.80 MAPT (0.31) THRBMAPT
SCHEMBL11560945 0.79 MAPT (0.39) THRBMAPTRXFP1
SCHEMBL135051 0.79 CYP3A4 (0.48) CA12CA1CA2CA3CA4

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-4239524-A SELECTIVE AGAINST WEEDS IN POTATO PLANTINGS SCHERING AKTIENGESELLSCHAFT (DE) 1980-12-16 — — US claimed
US-4239524-A SELECTIVE AGAINST WEEDS IN POTATO PLANTINGS SCHERING AKTIENGESELLSCHAFT (DE) 1980-12-16 — — US disclosed
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