Sugi Predict

Sugi Predict / Compounds / SCHEMBL9714306

SCHEMBL9714306

SCHEMBL9714306

CC(C)(C)N(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.68
▸ ABCB1 P08183 2/20 0.64
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ ALOX5 P09917 1/20 0.53

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
SCHEMBL9714310 0.95 POLB (0.68) POLBABCB1CYP3A4CYP2C9
SCHEMBL9714597 0.91 ABCB1 (0.76) POLBABCB1CYP3A4CYP2C9
SCHEMBL9714603 0.89 CYP3A4 (0.73) POLBABCB1CYP3A4CYP2C9
SCHEMBL8166763 0.88 POLB (0.74) POLBABCB1CYP3A4CYP2C9
SCHEMBL9652010 0.88 POLB (0.74) POLBABCB1CYP3A4CYP2C9
SCHEMBL9714304 0.86 ABCB1 (0.75) POLBABCB1CYP3A4CYP2C9
SCHEMBL9714538 0.82 POLB (0.63) POLBABCB1CYP3A4CYP2C9
SCHEMBL9714285 0.82 ABCB1 (0.58) POLBABCB1CYP3A4CYP2C9
Rh-5849 SCHEMBL1538531 0.82 POLB (1.00) POLBABCB1CYP3A4CYP2C9
SCHEMBL9425154 0.81 POLB (0.55) POLBABCB1CYP3A4CYP2C9

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