SCHEMBL9756433

SCHEMBL9756433

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.43
ABCB1 P08183 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9756099 0.90 SMN1; SMN2 (0.47) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755958 0.88 HPGD (0.45) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755987 0.87 HPGD (0.44) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755877 0.86 POLB (0.60) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756439 0.86 HPGD (0.43) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755970 0.84 CYP3A4 (0.47) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756072 0.83 SMN1; SMN2 (0.48) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756155 0.82 HTT (0.45) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756035 0.81 HPGD (0.46) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756045 0.81 CYP3A4 (0.49) 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