SCHEMBL9557474

SCHEMBL9557474

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
KMT2A Q03164 4/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL9557295 0.87 MAPT (0.51) CES2KMT2AMAPTALDH1A1ABCB1
SCHEMBL9557493 0.87 CTSD (0.44) KMT2AMAPTLMNAALDH1A1POLB
SCHEMBL9557180 0.85 CES2 (0.53) CES2KMT2AMAPTMEN1LMNA
SCHEMBL9557915 0.84 CES1 (0.54) CES2KMT2AMAPTMEN1ALDH1A1
SCHEMBL9557751 0.83 TP53 (0.52) CES2KMT2AMAPTMEN1LMNA
SCHEMBL9557366 0.82 ATM (0.56) CES2KMT2AMAPTMEN1ALDH1A1
SCHEMBL9557760 0.81 POLB (0.43) CES2KMT2AMAPTMEN1LMNA
SCHEMBL9557737 0.79 ALDH1A1 (0.55) CES2KMT2AMAPTMEN1LMNA
SCHEMBL9557683 0.79 CTSD (0.49) MAPTLMNAALDH1A1CYP1A2HTT
SCHEMBL9557616 0.78 MAPK1 (0.50) CES2KMT2AMAPTMEN1LMNA

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
US-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 EP disclosed