SCHEMBL9756319

SCHEMBL9756319

CCCCCC#CC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

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

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
SCHEMBL9755921 0.99 CYP3A4 (0.44) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756376 0.97 CYP3A4 (0.45) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756090 0.92 CYP3A4 (0.47) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756372 0.88 ABCB1 (0.53) CYP3A4CYP2C9ABCB1
SCHEMBL9756168 0.88 CYP3A4 (0.49) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9755994 0.87 ABCB1 (0.52) CYP3A4CYP2C9ABCB1
SCHEMBL9755951 0.87 POLB (0.53) CYP3A4CYP2C9RECQLPOLB
SCHEMBL9756455 0.85 POLB (0.52) CYP3A4CYP2C9RECQLPOLB
SCHEMBL9756062 0.85 ABCB1 (0.54) CYP3A4CYP2C9ABCB1
SCHEMBL9755978 0.83 POLB (0.55) 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