SCHEMBL9756020

SCHEMBL9756020

CCC#CCC(=O)N(NC(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9756322 0.90 POLB (0.56) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9756119 0.88 POLB (0.60) POLBCYP3A4CYP2C9
SCHEMBL9756075 0.87 HPGD (0.48) POLBCYP3A4HPGDSMN1; SMN2
SCHEMBL9756051 0.87 POLB (0.56) POLBCYP3A4CYP2C9
SCHEMBL9756183 0.86 ABCB1 (0.60) POLBCYP3A4CYP2C9
SCHEMBL9756358 0.85 CYP3A4 (0.45) POLBCYP3A4CYP2C9SMN1; SMN2
SCHEMBL9756076 0.84 POLB (0.71) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9755882 0.82 POLB (0.60) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9755964 0.80 CTSD (0.47) HPGDSMN1; SMN2
SCHEMBL9756281 0.80 POLB (0.65) POLBCYP3A4CYP2C9HPGDSMN1; 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-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed