SCHEMBL8730812

SCHEMBL8730812

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
POLB P06746 2/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTGS2 P35354 4/20 0.37
HPGD P15428 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 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
SCHEMBL8735077 0.91 L3MBTL1 (0.42) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8735209 0.90 L3MBTL1 (0.43) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8732659 0.89 L3MBTL1 (0.43) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8735823 0.88 PTGS2 (0.41) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8735203 0.85 HPGD (0.50) L3MBTL1POLBKMT2ANPC1RAB9A
SCHEMBL8732675 0.84 POLB (0.43) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8730869 0.82 CDC7 (0.37) L3MBTL1POLBKMT2ALMNAALDH1A1
SCHEMBL8734969 0.78 PTGS2 (0.41) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8735191 0.77 PTGS2 (0.41) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL8761891 0.76 EPHX1 (0.48) L3MBTL1KMT2AHPGDLMNAALDH1A1

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