SCHEMBL8734969

SCHEMBL8734969

CCCNC(=O)c1c(NC(C)(C)C)ccc(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8735823 0.91 PTGS2 (0.41) PTGS2CYP1A2CYP2C9POLBL3MBTL1
SCHEMBL8735191 0.88 PTGS2 (0.41) PTGS2CYP1A2CYP2C9POLBL3MBTL1
SCHEMBL8735209 0.88 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9POLBL3MBTL1
SCHEMBL8732709 0.82 HPGD (0.49) CYP1A2POLBL3MBTL1SMN1; SMN2KMT2A
SCHEMBL8730894 0.80 HTT (0.44) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8730812 0.78 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9POLBL3MBTL1
SCHEMBL8735077 0.77 L3MBTL1 (0.42) PTGS2CYP1A2CYP2C9POLBL3MBTL1
SCHEMBL9017593 0.77 POLB (0.47) PTGS2CYP1A2CYP2C9POLBL3MBTL1
SCHEMBL8735259 0.77 CLCN2 (0.43) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL8735837 0.76 NPC1 (0.39) PTGS2CYP1A2CYP2C9POLBL3MBTL1

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
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed