SCHEMBL9756360

SCHEMBL9756360

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
ABCB1 P08183 2/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39

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 0.91 CYP3A4 (0.46) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756043 0.89 CYP3A4 (0.49) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756417 0.89 CYP3A4 (0.46) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756182 0.87 ABCB1 (0.57) CYP3A4CYP2C9POLBABCB1HPGD
SCHEMBL9756017 0.85 POLB (0.58) CYP3A4CYP2C9RECQLPOLBSMN1; SMN2
SCHEMBL9756332 0.85 CYP3A4 (0.58) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756168 0.85 CYP3A4 (0.49) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9755969 0.83 CYP3A4 (0.52) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756358 0.81 CYP3A4 (0.45) CYP3A4CYP2C9POLBABCB1SMN1; SMN2
SCHEMBL9756174 0.81 CYP3A4 (0.50) CYP3A4CYP2C9RECQLPOLBABCB1

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