SCHEMBL9755978

SCHEMBL9755978

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
RECQL P46063 1/20 0.45
HPGD P15428 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL9755951 0.96 POLB (0.53) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9756455 0.95 POLB (0.52) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9756013 0.92 POLB (0.57) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755958 0.88 HPGD (0.45) POLBSMN1; SMN2CYP3A4CYP2C9HPGD
SCHEMBL9756062 0.87 ABCB1 (0.54) CYP3A4CYP2C9HPGD
SCHEMBL9755877 0.87 POLB (0.60) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9756376 0.86 CYP3A4 (0.45) POLBSMN1; SMN2CYP3A4CYP2C9RECQL
SCHEMBL9755987 0.84 HPGD (0.44) POLBSMN1; SMN2CYP3A4CYP2C9HPGD
SCHEMBL9756372 0.84 ABCB1 (0.53) CYP3A4CYP2C9HPGD
SCHEMBL9756439 0.83 HPGD (0.43) SMN1; SMN2CYP3A4CYP2C9HPGDHTT

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-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed