SCHEMBL9714285

SCHEMBL9714285

CC(C)(C)N(NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.58
POLB P06746 1/20 0.56
CES2 O00748 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9714291 0.91 ABCB1 (0.64) ABCB1POLBCES2CYP3A4CYP2C9
SCHEMBL9714320 0.88 ABCB1 (0.66) ABCB1POLBCYP3A4CYP2C9MEN1
SCHEMBL10722858 0.88 POLB (0.55) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9714635 0.87 POLB (0.63) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9714597 0.83 ABCB1 (0.76) ABCB1POLBCYP3A4CYP2C9MEN1
SCHEMBL8166763 0.83 POLB (0.74) ABCB1POLBCES2CYP3A4CYP2C9
SCHEMBL9652010 0.83 POLB (0.74) ABCB1POLBCES2CYP3A4CYP2C9
SCHEMBL9714306 0.82 POLB (0.68) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9714095 0.82 POLB (0.56) ABCB1POLBCYP3A4CYP2C9
SCHEMBL9714603 0.81 CYP3A4 (0.73) ABCB1POLBCYP3A4CYP2C9

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