SCHEMBL9652010

SCHEMBL9652010

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
ABCB1 P08183 1/20 0.58
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51

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 1.00 POLB (0.74) POLBCYP3A4CYP2C9ABCB1HPGD
SCHEMBL9714538 0.95 POLB (0.63) POLBCYP3A4CYP2C9ABCB1HPGD
SCHEMBL9714310 0.88 POLB (0.68) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714306 0.88 POLB (0.68) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714603 0.87 CYP3A4 (0.73) POLBCYP3A4CYP2C9ABCB1
SCHEMBL9714597 0.87 ABCB1 (0.76) POLBCYP3A4CYP2C9ABCB1HPGD
Rh-5849 SCHEMBL1538531 0.86 POLB (1.00) POLBCYP3A4CYP2C9ABCB1HPGD
SCHEMBL10752824 0.84 ABCB1 (0.68) ABCB1
SCHEMBL8167374 0.83 POLB (0.88) POLBCYP3A4CYP2C9HPGDSMN1; SMN2
SCHEMBL9714291 0.83 ABCB1 (0.64) POLBCYP3A4CYP2C9ABCB1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261755-B1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVES OF N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-12-16 EP disclosed
EP-0245950-B1 INSECTICIDAL N-SUBSTITUTED-N' - SUBSTITUTED-N, N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0253468-B1 SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-11-06 EP disclosed
EP-0236618-B1 INSECTICIDAL N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed
EP-0286746-B1 INSECTICIDAL N-(OPTIONALLY SUBSTITUTED) - N'-SUBSTITUTED-N,N'-DISUBSTITUTED- HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-02-27 EP disclosed
EP-0236618-A2 Insecticidal N'-substituted-N,N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-16 EP disclosed