SCHEMBL11285476

SCHEMBL11285476

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL11285472 1.00 KMT2A (0.40) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11272605 0.91 NPSR1 (0.43) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11272608 0.91 NPSR1 (0.43) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11267058 0.90 MEN1 (0.41) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11267057 0.90 MEN1 (0.41) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11274190 0.89 MEN1 (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11274188 0.89 MEN1 (0.37) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11278378 0.89 KMT2A (0.38) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11278376 0.89 KMT2A (0.38) KMT2AMEN1PLA2G1BHTTNPSR1
SCHEMBL11282726 0.88 KMT2A (0.38) 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