SCHEMBL9755894

SCHEMBL9755894

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ABCB1 P08183 4/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL9714308 0.88 CYP3A4 (0.71) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756336 0.86 CYP3A4 (0.52) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9714496 0.86 POLB (0.73) CYP3A4CYP2C9ABCB1POLB
SCHEMBL9756180 0.84 ABCB1 (0.74) CYP3A4CYP2C9ABCB1HDAC6POLB
SCHEMBL9756091 0.83 CYP3A4 (0.50) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756423 0.83 CYP3A4 (0.50) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756150 0.83 CYP3A4 (0.50) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9714502 0.83 CYP3A4 (0.81) CYP3A4CYP2C9ABCB1POLB
SCHEMBL9756401 0.82 CYP3A4 (0.56) CYP3A4CYP2C9ABCB1HDAC1HDAC6
SCHEMBL9756246 0.82 CYP3A4 (0.49) CYP3A4CYP2C9ABCB1HDAC1HDAC6

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 4 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
EP-0217149-A2 Poly(2,2,6,6-tetramethylpiperidylaminospiroglycolether-1,3,5-triazines) ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1987-04-08 EP disclosed