SCHEMBL9714296

SCHEMBL9714296

CC(C)(C)N(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.75
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
ABCB1 P08183 2/20 0.63
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL9714298 0.94 POLB (0.75) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714359 0.90 ABCB1 (0.77) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714120 0.90 POLB (0.59) POLBCYP3A4CYP2C9ABCB1CYP2C19
SCHEMBL9714363 0.87 CYP3A4 (0.81) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714472 0.87 POLB (0.56) POLBCYP3A4CYP2C9ABCB1
SCHEMBL4150390 0.87 POLB (0.82) POLBCYP3A4CYP2C9
Halofenozide SCHEMBL55120 0.87 POLB (0.82) POLBCYP3A4CYP2C9
Rh-5849 SCHEMBL1538531 0.86 POLB (1.00) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714465 0.86 POLB (0.55) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714349 0.84 ABCB1 (0.76) POLBCYP3A4CYP2C9ABCB1

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-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed