SCHEMBL9756155

SCHEMBL9756155

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPA1 O75762 1/20 0.40
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
ABCB1 P08183 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
SCHEMBL9756369 0.86 POLB (0.60) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9755970 0.84 CYP3A4 (0.47) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9756433 0.82 SMN1; SMN2 (0.49) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9756045 0.81 CYP3A4 (0.49) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9756099 0.80 SMN1; SMN2 (0.47) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9756158 0.79 POLB (0.43) POLBHPGDSMN1; SMN2
SCHEMBL9755880 0.79 ABCB1 (0.58) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9755904 0.78 CYP3A4 (0.49) HTTCYP3A4CYP2C9POLBSMN1; SMN2
SCHEMBL9755958 0.78 HPGD (0.45) HTTCYP3A4CYP2C9CYP2C19POLB
SCHEMBL9756135 0.77 CYP3A4 (0.53) HTTCYP3A4CYP2C9CYP2C19POLB

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