SCHEMBL9755933

SCHEMBL9755933

CCCC#CCCCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.40
ABCB1 P08183 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9755929 0.89 CYP3A4 (0.46) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756174 0.89 CYP3A4 (0.50) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9755849 0.88 ABCB1 (0.53) CYP3A4CYP2C9ABCB1
SCHEMBL9756046 0.88 CYP3A4 (0.49) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756417 0.87 CYP3A4 (0.46) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756039 0.87 CYP3A4 (0.48) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756252 0.87 CYP3A4 (0.48) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756516 0.87 CYP3A4 (0.48) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756002 0.87 CYP3A4 (0.48) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756286 0.87 CYP3A4 (0.48) CYP3A4CYP2C9RECQLABCB1POLB

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