SCHEMBL8735823

SCHEMBL8735823

CCCNC(=O)c1c(NC(C)(C)CC)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 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 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
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
SCHEMBL8734969 0.91 PTGS2 (0.41) PTGS2CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8735191 0.90 PTGS2 (0.41) PTGS2CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8730812 0.88 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8733049 0.85 HPGD (0.46) CYP1A2L3MBTL1POLBSMN1; SMN2KMT2A
SCHEMBL8732726 0.82 CLCN2 (0.40) PTGS2L3MBTL1POLBKMT2AALDH1A1
SCHEMBL8732675 0.80 POLB (0.43) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8735077 0.79 L3MBTL1 (0.42) PTGS2CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8735209 0.78 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8732659 0.77 L3MBTL1 (0.43) PTGS2CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8735214 0.77 CYP1A2 (0.39) PTGS2CYP1A2CYP2C9L3MBTL1POLB

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
US-5482974-A AMINO OR ETHER BENZAMIDES MONSANTO COMPANY (US) 1996-01-09 US claimed
EP-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed