SCHEMBL8735203

SCHEMBL8735203

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.39
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
PTK2B Q14289 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8732666 0.90 HPGD (0.50) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8733049 0.89 HPGD (0.46) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8732682 0.89 HPGD (0.51) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8735213 0.89 HPGD (0.54) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8730812 0.85 L3MBTL1 (0.43) HPGDALDH1A1CYP1A2POLBRAB9A
SCHEMBL8735032 0.80 HPGD (0.46) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8735053 0.78 HPGD (0.47) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8730869 0.78 CDC7 (0.37) ALDH1A1POLBLMNAL3MBTL1GAA
SCHEMBL8732709 0.78 HPGD (0.49) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8735082 0.77 HPGD (0.49) HPGDALDH1A1CYP1A2CYP3A4CYP2C19

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