SCHEMBL9756243

SCHEMBL9756243

CC(C)(C)N(NC(=O)C#Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
RECQL P46063 1/20 0.50
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 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
SCHEMBL8173866 0.89 ABCB1 (0.57) POLBCYP3A4CYP2C9SMN1; SMN2CYP2C19
SCHEMBL9756009 0.84 POLB (0.63) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756369 0.82 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9755877 0.82 POLB (0.60) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756202 0.81 POLB (0.67) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL8426425 0.80 POLB (0.75) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9756013 0.80 POLB (0.57) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL9755978 0.78 POLB (0.55) POLBCYP3A4CYP2C9SMN1; SMN2RECQL
SCHEMBL10773061 0.77 POLB (0.61) POLBCYP3A4CYP2C9NPSR1
Rh-5849 SCHEMBL1538531 0.77 POLB (1.00) POLBCYP3A4CYP2C9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347216-A2 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acylhydrazines and N'-substituted -N-acyl-N'-alkylcarbonyl hydrazines ROHM AND HAAS COMPANY (US) 1989-12-20 EP claimed
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed