SCHEMBL9755885

SCHEMBL9755885

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.62
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNH2 Q12809 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL9755909 0.87 HDAC1 (0.47) ABCB1HDAC6CYP3A4CYP2C9POLB
SCHEMBL9756371 0.86 POLB (0.60) CYP3A4CYP2C9POLB
SCHEMBL9756261 0.85 ABCB1 (0.64) ABCB1HDAC8HDAC6CYP3A4CYP2C9
SCHEMBL9756060 0.83 ABCB1 (0.62) ABCB1HDAC8HDAC6CYP3A4CYP2C9
SCHEMBL9756413 0.82 ABCB1 (0.67) ABCB1HDAC8HDAC6CYP3A4CYP2C9
SCHEMBL9756104 0.81 ABCB1 (0.59) ABCB1HDAC8HDAC6CYP3A4CYP2C9
SCHEMBL9755880 0.81 ABCB1 (0.58) ABCB1HDAC8HDAC6CYP3A4CYP2C9
SCHEMBL9756065 0.79 ABCB1 (0.57) ABCB1HDAC8HDAC6CYP3A4CYP2C9
SCHEMBL9714226 0.79 ABCB1 (0.89) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756180 0.79 ABCB1 (0.74) ABCB1HDAC8HDAC6CYP3A4CYP2C9

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