SCHEMBL4592749

SCHEMBL4592749

CCCCCOc1cc[nH]c(=O)c1Cc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTPN11 Q06124 1/20 0.34
AR P10275 1/20 0.34
PARP14 Q460N5 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 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
SCHEMBL4592329 0.78 S1PR2 (0.31) LMNASMN1; SMN2PTPN1S1PR2S1PR1
SCHEMBL600960 0.73 GPR84 (0.39) KMT2AMEN1MAPTNR1I2LMNA
SCHEMBL31351898 0.72 L3MBTL1 (0.43) POLBKMT2AMEN1MAPTNR1I2
SCHEMBL10755910 0.71 KMT2A (0.49) POLBKMT2AMEN1MAPTNR1I2
SCHEMBL10383359 0.71 CYP3A4 (0.47) KMT2AMEN1MAPTNR1I2LMNA
SCHEMBL19518041 0.70 MEN1 (0.49) POLBKMT2AMEN1MAPTNR1I2
SCHEMBL19817072 0.69 L3MBTL1 (0.40) POLBKMT2AMEN1MAPTNR1I2
SCHEMBL11874439 0.67 L3MBTL1 (0.64) KMT2AMEN1MAPTNR1I2LMNA
SCHEMBL11662071 0.66 L3MBTL1 (0.62) KMT2AMEN1MAPTNR1I2LMNA
SCHEMBL2834843 0.66 POLB (0.48) POLBKMT2AMEN1MAPTLMNA

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-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO disclosed