SCHEMBL11528810

SCHEMBL11528810

O=C(CCS(=O)(=O)CCCl)NCCN(CCNC(=O)CCS(=O)(=O)CCCl)C(=O)CCS(=O)(=O)CCCl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 6/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FAAH O00519 2/20 0.33
DNM1 Q05193 1/20 0.31
GRK2 P25098 1/20 0.31
APEX1 P27695 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
SCHEMBL11528290 0.88 CYP2C19 (0.33) HTTCYP2C19
SCHEMBL22326440 0.78 FAAH (0.39) L3MBTL1KMT2AMEN1HTTCA12
SCHEMBL22326441 0.76 FAAH (0.38) L3MBTL1KMT2AMEN1HTTCA12
SCHEMBL11530342 0.75 L3MBTL1 (0.36) L3MBTL1DNM1
SCHEMBL14593602 0.73 FAAH (0.42) KMT2APOLBMEN1HTTCYP2C19
SCHEMBL11117555 0.72 APEX1 (0.39) KMT2APOLBMEN1HTTRXFP1
SCHEMBL9768557 0.72 ALDH1A1 (0.37) L3MBTL1KMT2APOLBMEN1HTT
SCHEMBL11596131 0.72 FAAH (0.36) L3MBTL1KMT2APOLBMEN1HTT
SCHEMBL11595202 0.70 FAAH (0.36) L3MBTL1KMT2APOLBMEN1HTT
SCHEMBL11591963 0.70 KMT2A (0.33) L3MBTL1KMT2APOLBMEN1HTT

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-4134770-A VINYLSULFONYLPROPIONYL COMPOUNDS MITSUBISHI PAPER MILLS, LTD. (JP) 1979-01-16 US disclosed