SCHEMBL9756261

SCHEMBL9756261

Cc1cccc(C(=O)NN(C(=O)C#CC(C)(C)C)C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.64
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNH2 Q12809 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9756130 0.86 CYP3A4 (0.48) ABCB1CYP3A4CYP2C9HDAC6POLB
SCHEMBL9756012 0.85 POLB (0.63) CYP3A4CYP2C9POLB
SCHEMBL9756060 0.85 ABCB1 (0.62) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9755885 0.85 ABCB1 (0.62) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756413 0.84 ABCB1 (0.67) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756104 0.83 ABCB1 (0.59) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756065 0.81 ABCB1 (0.57) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9756180 0.81 ABCB1 (0.74) ABCB1CYP3A4CYP2C9HDAC8HDAC6
SCHEMBL9714226 0.81 ABCB1 (0.89) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756380 0.80 ABCB1 (0.56) ABCB1CYP3A4CYP2C9

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-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed