SCHEMBL11486877

SCHEMBL11486877

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 6/20 0.34
▸ THRA P10827 1/20 0.34
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA3 P07451 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA6 P23280 2/20 0.31
▸ CA5A P35218 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA13 Q8N1Q1 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ CA5B Q9Y2D0 2/20 0.31
▸ TXNRD1 Q16881 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 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
SCHEMBL11492503 0.99 THRB (0.36) THRBTHRAMAPTRXFP1CA12
SCHEMBL11489030 0.99 THRB (0.36) THRBTHRAMAPTRXFP1CA12
SCHEMBL11486529 0.96 MAPT (0.32) THRBTHRAMAPTRXFP1CA1
SCHEMBL11492782 0.90 KDM4E (0.32) MAPTCA1CA2CA4CA9
SCHEMBL11486924 0.86 CA1 (0.33) CA1CA2CA4CA9KDM4E
SCHEMBL11722353 0.83 CYP3A4 (0.46) THRBTHRAMAPTRXFP1CA12
SCHEMBL11722437 0.83 CYP3A4 (0.46) THRBTHRAMAPTRXFP1CA12
SCHEMBL11501254 0.81 MAPT (0.31) THRBMAPT
SCHEMBL135051 0.80 CYP3A4 (0.48) MAPTRXFP1CA12CA1CA2
SCHEMBL11560945 0.80 MAPT (0.39) THRBMAPTRXFP1KDM4EALDH1A1

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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