SCHEMBL9755878

SCHEMBL9755878

CCCC#CCCCC(=O)NN(C(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9756063 0.88 HPGD (0.44) POLBSMN1; SMN2CYP3A4CYP2C9HPGD
SCHEMBL9756318 0.88 POLB (0.56) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755849 0.88 ABCB1 (0.53) CYP3A4CYP2C9HPGD
SCHEMBL8170061 0.87 POLB (0.61) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755933 0.87 CYP3A4 (0.44) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755922 0.86 POLB (0.60) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9756049 0.85 POLB (0.56) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755993 0.85 POLB (0.58) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755980 0.85 POLB (0.58) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9756190 0.85 POLB (0.58) POLBSMN1; SMN2CYP3A4CYP2C9RECQL

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-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed