SCHEMBL9756451

SCHEMBL9756451

Cc1cccc(C(=O)N(NC(=O)CCCCc2ccc(Cl)cc2)C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.51
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL9756228 0.90 ABCB1 (0.54) ABCB1CYP3A4CYP2C9
SCHEMBL9756330 0.89 HDAC3 (0.45) CYP3A4CYP2C9CYP2C19HTTHDAC3
SCHEMBL9755939 0.88 HDAC3 (0.51) CYP3A4CYP2C9CYP2C19HTTHDAC3
SCHEMBL9755920 0.87 NPC1 (0.55) ABCB1CYP3A4CYP2C9
SCHEMBL9756112 0.87 HDAC3 (0.55) ABCB1CYP3A4CYP2C9CYP2C19HTT
SCHEMBL9756004 0.84 SMN1; SMN2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9756064 0.83 ABCB1 (0.58) ABCB1CYP3A4CYP2C9
SCHEMBL9756453 0.83 ABCB1 (0.54) ABCB1KDM4EMEN1ALDH1A1TP53
SCHEMBL9755986 0.82 ABCB1 (0.57) ABCB1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL9755871 0.82 ABCB1 (0.57) ABCB1CYP3A4CYP2C9

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-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed