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Sugi Predict / Compounds / SCHEMBL11274190

SCHEMBL11274190

SCHEMBL11274190

COC(=O)[C@H](C)N(C(=O)CSC(=O)C=C(C)C)c1c(C)ccc(Br)c1C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ PKM P14618 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
SCHEMBL11274188 1.00 MEN1 (0.37) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11285476 0.89 KMT2A (0.40) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11285472 0.89 KMT2A (0.40) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11279061 0.88 MEN1 (0.37) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11279056 0.88 MEN1 (0.37) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11267057 0.86 MEN1 (0.41) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11267058 0.86 MEN1 (0.41) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11282642 0.85 KMT2A (0.37) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11282645 0.85 KMT2A (0.37) MEN1PLA2G1BHTTKMT2ANPSR1
SCHEMBL11278376 0.85 KMT2A (0.38) MEN1PLA2G1BHTTKMT2ANPSR1

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
US-4313957-A Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1982-02-02 — — US disclosed