SCHEMBL9755963

SCHEMBL9755963

CC(C)(C)N(NC(=O)C1CCC1)C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
RECQL P46063 2/20 0.50
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL9756160 0.97 POLB (0.61) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9755967 0.96 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL8173463 0.96 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756366 0.96 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756036 0.94 POLB (0.69) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9507243 0.86 KMT2A (0.48) POLBCYP3A4CYP2C9SMN1; SMN2HTT
SCHEMBL9756247 0.85 ABCB1 (0.60) POLBCYP3A4CYP2C9KMT2ANPSR1
SCHEMBL9756412 0.84 CYP3A4 (0.50) POLBCYP3A4CYP2C9RECQL
SCHEMBL9756105 0.83 KMT2A (0.51) POLBCYP3A4CYP2C9SMN1; SMN2HTT
SCHEMBL9755937 0.83 ABCB1 (0.60) POLBCYP3A4CYP2C9NPSR1

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