SCHEMBL9756441

SCHEMBL9756441

CCCCCCC#CC(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ABCB1 P08183 1/20 0.40

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
SCHEMBL9755990 0.99 HPGD (0.44) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL9755960 0.95 HPGD (0.45) HPGDSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL9756101 0.91 HPGD (0.47) HPGDSMN1; SMN2ABCB1
SCHEMBL9756458 0.88 POLB (0.52)
SCHEMBL9755955 0.87 POLB (0.53)
SCHEMBL9756435 0.86 HPGD (0.49) HPGDSMN1; SMN2ABCB1
SCHEMBL9755981 0.83 POLB (0.55)
SCHEMBL9756439 0.82 HPGD (0.43) HPGDSMN1; SMN2
SCHEMBL9755998 0.81 ABCB1 (0.55) ABCB1
SCHEMBL9755924 0.81 CYP3A4 (0.41) SMN1; SMN2HDAC1ABCB1

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