SCHEMBL8730858

SCHEMBL8730858

CCCNC(=O)c1c(Cl)cccc1NC(CC)(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
POLB P06746 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX1 P07099 1/20 0.38
PLK1 P53350 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8732675 0.89 POLB (0.43) HTTPOLBL3MBTL1HPGDTHRB
SCHEMBL8733063 0.88 POLB (0.42) HTTPOLBL3MBTL1HPGDTHRB
SCHEMBL8730894 0.88 HTT (0.44) HTTPOLBL3MBTL1HPGDTHRB
SCHEMBL8732659 0.84 L3MBTL1 (0.43) POLBL3MBTL1HPGDTHRBRECQL
SCHEMBL8730834 0.83 HPGD (0.66) POLBL3MBTL1HPGDALDH1A1LMNA
SCHEMBL10289215 0.82 ALDH1A1 (0.57) HTTPOLBL3MBTL1HPGDTHRB
SCHEMBL8735191 0.80 PTGS2 (0.41) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8734958 0.77 POLB (0.44) HTTPOLBL3MBTL1HPGDALDH1A1
SCHEMBL7217473 0.76 ALDH1A1 (0.44) HTTPOLBL3MBTL1HPGDALDH1A1
SCHEMBL8732695 0.76 P2RX7 (0.58) POLBL3MBTL1HPGDTHRBRECQL

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