SCHEMBL11277097

SCHEMBL11277097

CCC(C)C(=O)SCC(=O)N(c1c(C)ccc(Br)c1C)[C@@H](C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL11277090 1.00 KMT2A (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11279364 0.92 KMT2A (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11279361 0.92 KMT2A (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11280347 0.91 NPSR1 (0.40) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11280344 0.91 NPSR1 (0.40) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11267058 0.90 MEN1 (0.41) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11267057 0.90 MEN1 (0.41) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11494675 0.88
SCHEMBL11275029 0.88 KMT2A (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11275028 0.88 KMT2A (0.37) KMT2AMEN1PLA2G1BHTTNPSR1

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