SCHEMBL9755992

SCHEMBL9755992

CC(C)(C)N(NC(=O)CCCc1ccccc1)C(=O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.46
POLB P06746 1/20 0.46
LPAR1 Q92633 1/20 0.45
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9756264 0.97 CYP3A4 (0.51) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9755855 0.93 CYP3A4 (0.54) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756166 0.88 SMN1; SMN2 (0.59) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9755920 0.88 NPC1 (0.55) CYP3A4CYP2C9SMN1; SMN2POLBLPAR1
SCHEMBL9756330 0.87 HDAC3 (0.45) CYP3A4CYP2C9HDAC3HDAC1HDAC2
SCHEMBL9756120 0.86 CYP3A4 (0.56) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756174 0.86 CYP3A4 (0.50) CYP3A4CYP2C9RECQLPOLB
SCHEMBL9756046 0.85 CYP3A4 (0.49) CYP3A4CYP2C9RECQLPOLB
SCHEMBL9756018 0.85 SMN1; SMN2 (0.57) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756228 0.84 ABCB1 (0.54) CYP3A4CYP2C9SMN1; SMN2POLBLPAR1

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