SCHEMBL9755855

SCHEMBL9755855

CC(C)(C)N(NC(=O)CCc1ccccc1)C(=O)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 1/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL9755992 0.93 CYP3A4 (0.52) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756264 0.92 CYP3A4 (0.51) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756120 0.88 CYP3A4 (0.56) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9755903 0.88 POLB (0.61) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9755986 0.87 ABCB1 (0.57) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9755969 0.85 CYP3A4 (0.52) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756174 0.83 CYP3A4 (0.50) CYP3A4CYP2C9RECQLPOLB
SCHEMBL9756330 0.83 HDAC3 (0.45) CYP3A4CYP2C9
SCHEMBL9756332 0.83 CYP3A4 (0.58) CYP3A4CYP2C9SMN1; SMN2RECQLPOLB
SCHEMBL9756046 0.82 CYP3A4 (0.49) CYP3A4CYP2C9RECQLPOLB

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