SCHEMBL6238764

SCHEMBL6238764

CCC(=O)NCCSC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 3/20 0.41
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 1/20 0.39
STAT3 P40763 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6239136 0.88 MEN1 (0.61) KMT2AMEN1CYP2C19RECQLPOLB
SCHEMBL6234852 0.86 MEN1 (0.65) KMT2AMEN1ALDH1A1RECQL
SCHEMBL6236684 0.83 CASP2 (0.52) TSHRCYP2C19ALDH1A1
SCHEMBL14959901 0.83 TEAD1 (0.49) KMT2AMEN1TSHRCYP2C19ALDH1A1
SCHEMBL3863284 0.83 MEN1 (0.60) KMT2AMEN1TSHRALDH1A1RECQL
SCHEMBL17164975 0.81 MEN1 (0.58) KMT2AMEN1TSHRCYP2C19RECQL
SCHEMBL10490814 0.81 CYP2C19 (0.43) KMT2AMEN1TSHRCYP2C19ALDH1A1
SCHEMBL17546684 0.79 MEN1 (0.61) KMT2AMEN1TSHRCYP2C19ALDH1A1
SCHEMBL1930349 0.79 TSHR (0.65) KMT2ATSHRCYP2C19ALDH1A1POLB
SCHEMBL18734984 0.79 MEN1 (0.50) KMT2AMEN1TSHRCYP2C19ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO disclosed