SCHEMBL9756166

SCHEMBL9756166

CC(C)(C)N(NC(=O)CCCc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.58
HDAC1 Q13547 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL9756018 0.96 SMN1; SMN2 (0.57) SMN1; SMN2POLBHDAC1HDAC2CYP3A4
SCHEMBL9755903 0.92 POLB (0.61) SMN1; SMN2POLBHDAC1HDAC2HDAC8
SCHEMBL9756124 0.91 SMN1; SMN2 (0.50) SMN1; SMN2POLBHDAC1HDAC3HDAC2
SCHEMBL9755920 0.89 NPC1 (0.55) SMN1; SMN2POLBCYP3A4CYP2C9NPC1
SCHEMBL9755992 0.88 CYP3A4 (0.52) SMN1; SMN2POLBHDAC1HDAC3HDAC2
SCHEMBL9755939 0.88 HDAC3 (0.51) SMN1; SMN2POLBHDAC1HDAC3HDAC2
SCHEMBL9756004 0.88 SMN1; SMN2 (0.49) SMN1; SMN2POLBHDAC1HDAC3HDAC2
SCHEMBL8170061 0.86 POLB (0.61) SMN1; SMN2POLBCYP3A4CYP2C9ALDH1A1
SCHEMBL9756228 0.86 ABCB1 (0.54) SMN1; SMN2POLBCYP3A4CYP2C9NPC1
SCHEMBL9755922 0.85 POLB (0.60) SMN1; SMN2POLBCYP3A4CYP2C9RECQL

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