SCHEMBL9755929

SCHEMBL9755929

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.41
ABCB1 P08183 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 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
SCHEMBL9756360 0.91 CYP3A4 (0.48) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9755933 0.89 CYP3A4 (0.44) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756097 0.88 ABCB1 (0.55) CYP3A4CYP2C9ABCB1POLBHPGD
SCHEMBL9756043 0.87 CYP3A4 (0.49) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756318 0.86 POLB (0.56) CYP3A4CYP2C9RECQLPOLBSMN1; SMN2
SCHEMBL9756090 0.85 CYP3A4 (0.47) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756417 0.84 CYP3A4 (0.46) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9755969 0.83 CYP3A4 (0.52) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9756332 0.83 CYP3A4 (0.58) CYP3A4CYP2C9RECQLABCB1POLB
SCHEMBL9755931 0.82 ABCB1 (0.43) CYP3A4CYP2C9ABCB1POLBSMN1; SMN2

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