SCHEMBL9756419

SCHEMBL9756419

CCC#CCCC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABCB1 P08183 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9756358 0.89 CYP3A4 (0.45) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9756003 0.88 ABCB1 (0.58) HDAC6ABCB1CYP3A4CYP2C9POLB
SCHEMBL9755936 0.87 ABCB1 (0.42) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9756051 0.86 POLB (0.56) CYP3A4CYP2C9POLB
SCHEMBL9755975 0.86 CYP3A4 (0.49) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9756336 0.84 CYP3A4 (0.52) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9755931 0.84 ABCB1 (0.43) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9756540 0.84 CYP3A4 (0.47) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9756173 0.83 CYP3A4 (0.46) HDAC1HDAC6ABCB1CYP3A4CYP2C9
SCHEMBL9756048 0.83 CYP3A4 (0.46) HDAC1HDAC6ABCB1CYP3A4CYP2C9

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