SCHEMBL9756069

SCHEMBL9756069

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9756316 0.86 POLB (0.61) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756219 0.83 HPGD (0.58) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756023 0.82 CYP3A4 (0.49) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9755949 0.81 HPGD (0.52) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756353 0.78 HPGD (0.50) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756070 0.78 HPGD (0.47) SMN1; SMN2HPGDPOLB
SCHEMBL9714227 0.78 POLB (0.71) SMN1; SMN2HPGDCYP3A4CYP2C9POLB
SCHEMBL9756135 0.78 CYP3A4 (0.53) SMN1; SMN2HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL9756156 0.78 ABCB1 (0.60) HPGDCYP3A4CYP2C9POLB
SCHEMBL9756425 0.77 ALDH1A1 (0.52) 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