SCHEMBL8735191

SCHEMBL8735191

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
METTL3 Q86U44 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL8735823 0.90 PTGS2 (0.41) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL8734969 0.88 PTGS2 (0.41) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL8732659 0.88 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL8735053 0.84 HPGD (0.47) CYP1A2POLBL3MBTL1SMN1; SMN2NPSR1
SCHEMBL8730848 0.81 CLCN2 (0.41) PTGS2POLBSMN1; SMN2KMT2AMETTL3
SCHEMBL8730858 0.80 HTT (0.43) POLBTHRBRECQLTDP1L3MBTL1
SCHEMBL8730812 0.77 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL8735077 0.76 L3MBTL1 (0.42) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL9017593 0.76 POLB (0.47) PTGS2CYP1A2CYP2C9POLBTHRB
SCHEMBL8735209 0.76 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9POLBTHRB

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