SCHEMBL9756048

SCHEMBL9756048

CCCCCC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ABCB1 P08183 2/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 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
SCHEMBL9756041 0.99 CYP3A4 (0.45) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756005 0.99 CYP3A4 (0.45) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756256 0.99 CYP3A4 (0.45) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756289 0.99 CYP3A4 (0.45) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756515 0.99 CYP3A4 (0.45) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756540 0.96 CYP3A4 (0.47) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9755975 0.91 CYP3A4 (0.49) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9755936 0.88 ABCB1 (0.42) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756336 0.87 CYP3A4 (0.52) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756068 0.87 ABCB1 (0.62) CYP3A4CYP2C9ABCB1

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