SCHEMBL11277894

SCHEMBL11277894

COC(=O)CN(C(=O)CSC(C)=O)c1c(C)ccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
ALDH1A1 P00352 6/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL11266992 0.90 RAB9A (0.34) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11277898 0.90 RAB9A (0.41) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11274555 0.88 RAB9A (0.34) RAB9AALDH1A1HSD17B10HPGDALOX15
SCHEMBL11278193 0.87 RAB9A (0.38) RAB9AALDH1A1HSD17B10HPGDALOX15
SCHEMBL11263995 0.86 RAB9A (0.34) RAB9AALDH1A1HSD17B10HPGDALOX15
SCHEMBL11271154 0.86 RAB9A (0.34) RAB9AALDH1A1HSD17B10HPGDALOX15
SCHEMBL11275039 0.86 MLYCD (0.36) RAB9AALDH1A1HSD17B10HPGDALOX15
SCHEMBL11278693 0.85 RAB9A (0.34) RAB9AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11290058 0.85 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11270268 0.84 KMT2A (0.46) RAB9AALDH1A1HSD17B10HPGDALOX15

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