SCHEMBL9755939

SCHEMBL9755939

CC(C)(C)N(NC(=O)CCCCc1ccc(Cl)cc1)C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 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
SCHEMBL9756004 0.95 SMN1; SMN2 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9756112 0.94 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9756124 0.92 SMN1; SMN2 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9756018 0.92 SMN1; SMN2 (0.57) HDAC1HDAC2POLBSMN1; SMN2CYP3A4
SCHEMBL9756451 0.88 ABCB1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9756166 0.88 SMN1; SMN2 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9756330 0.87 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9756118 0.87 SMN1; SMN2 (0.52) POLBSMN1; SMN2CYP3A4CYP2C9MEN1
SCHEMBL9755953 0.83 HDAC1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9755903 0.82 POLB (0.61) HDAC1HDAC2HDAC8HDAC6POLB

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