SCHEMBL11272608

SCHEMBL11272608

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PLA2G1B P04054 1/20 0.43
HTT P42858 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL11272605 1.00 NPSR1 (0.43) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11285472 0.91 KMT2A (0.40) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11285476 0.91 KMT2A (0.40) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11270142 0.90 KMT2A (0.53) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11230897 0.90 KMT2A (0.53) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11271599 0.89 NPSR1 (0.44) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11271601 0.89 NPSR1 (0.44) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11273887 0.88 MEN1 (0.41) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11273889 0.88 MEN1 (0.41) NPSR1MEN1KMT2APLA2G1BHTT
SCHEMBL11278060 0.87 MEN1 (0.40) NPSR1MEN1KMT2APLA2G1BHTT

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