SCHEMBL9756009

SCHEMBL9756009

CC(C)(C)C#CC(=O)NN(C(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.51
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL9755970 0.86 CYP3A4 (0.47) POLBCYP3A4CYP2C9SMN1; SMN2HTT
SCHEMBL9756259 0.85 ABCB1 (0.61) POLBCYP3A4CYP2C9HTTCYP2C19
SCHEMBL9756243 0.84 POLB (0.61) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756128 0.84 CYP3A4 (0.51) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9755877 0.83 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756369 0.83 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756202 0.82 POLB (0.67) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756013 0.81 POLB (0.57) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9755956 0.79 ABCB1 (0.46)
SCHEMBL9755978 0.79 POLB (0.55) POLBCYP3A4CYP2C9SMN1; SMN2RECQL

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