SCHEMBL9714538

SCHEMBL9714538

CC(C)(C)N(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 1/20 0.55
ABCB1 P08183 3/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 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
SCHEMBL8166763 0.95 POLB (0.74) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9652010 0.95 POLB (0.74) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9495409 0.87 ABCB1 (0.60) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9815840 0.84 ABCB1 (0.51) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL9425631 0.84 ABCB1 (0.48) POLBHPGDSMN1; SMN2CYP3A4CYP2C9
SCHEMBL10752824 0.84 ABCB1 (0.68) ABCB1
SCHEMBL9714310 0.82 POLB (0.68) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714306 0.82 POLB (0.68) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714603 0.81 CYP3A4 (0.73) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714597 0.81 ABCB1 (0.76) POLBHPGDSMN1; SMN2CYP3A4CYP2C9

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 4 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
US-4985461-A Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1991-01-15 US disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed