SCHEMBL9755909

SCHEMBL9755909

CC(C)C#CC(=O)N(NC(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ABCB1 P08183 4/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CTSL P07711 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL9755885 0.87 ABCB1 (0.62) HDAC6CYP3A4CYP2C9ABCB1POLB
SCHEMBL9756130 0.85 CYP3A4 (0.48) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9756371 0.85 POLB (0.60) CYP3A4CYP2C9POLB
SCHEMBL9756173 0.83 CYP3A4 (0.46) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9756423 0.83 CYP3A4 (0.50) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9756092 0.81 CYP3A4 (0.44) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9755904 0.81 CYP3A4 (0.49) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9756379 0.80 CYP3A4 (0.43) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9755894 0.79 CYP3A4 (0.55) HDAC1HDAC6CYP3A4CYP2C9ABCB1
SCHEMBL9714308 0.79 CYP3A4 (0.71) HDAC1HDAC6CYP3A4CYP2C9ABCB1

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