SCHEMBL9756404

SCHEMBL9756404

C/C=C\C(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL9756327 1.00 POLB (0.47) POLBHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL9756029 1.00 POLB (0.47) POLBHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL9756396 0.85 POLB (0.65) POLBCYP3A4CYP2C9
SCHEMBL9755915 0.85 POLB (0.65) POLBCYP3A4CYP2C9
SCHEMBL9756483 0.85 POLB (0.65) POLBCYP3A4CYP2C9
SCHEMBL9756026 0.84 POLB (0.48) POLBHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL9756137 0.80 POLB (0.53) POLBHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL9714227 0.80 POLB (0.71) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9756222 0.78 HPGD (0.56) POLBHPGDSMN1; SMN2CYP3A4
SCHEMBL9756328 0.77 CYP3A4 (0.48) POLBHPGDSMN1; SMN2CYP3A4CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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