SCHEMBL9756099

SCHEMBL9756099

CCCC#CC(=O)NN(C(=O)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.42
ABCB1 P08183 2/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9755958 0.93 HPGD (0.45) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755987 0.92 HPGD (0.44) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756439 0.91 HPGD (0.43) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756433 0.90 SMN1; SMN2 (0.49) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756013 0.87 POLB (0.57) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756210 0.84 HPGD (0.46) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756063 0.82 HPGD (0.44) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755970 0.82 CYP3A4 (0.47) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756101 0.80 HPGD (0.47) SMN1; SMN2HPGDCYP3A4ABCB1
SCHEMBL9755978 0.80 POLB (0.55) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed