SCHEMBL8730834

SCHEMBL8730834

C=CCNC(=O)c1c(Cl)cccc1NC(CC)(CC)CC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.66
ALDH1A1 P00352 6/20 0.66
CYP1A2 P05177 2/20 0.50
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8733069 0.89 HPGD (0.64) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8730855 0.87 HPGD (0.69) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8732682 0.85 HPGD (0.51) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8730858 0.83 HTT (0.43) HPGDALDH1A1POLBL3MBTL1LMNA
SCHEMBL8735053 0.81 HPGD (0.47) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8735808 0.77 HPGD (0.64) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8733078 0.76 HPGD (0.63) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8732638 0.76 HPGD (0.63) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8735202 0.75 HPGD (0.61) HPGDALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8732666 0.74 HPGD (0.50) HPGDALDH1A1CYP1A2POLBCYP3A4

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