SCHEMBL7688752

SCHEMBL7688752

O=C1NOc2ccccc2C1c1ccc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
ATM Q13315 1/20 0.31
FKBP5 Q13451 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2406500 0.81 ALDH1A1 (0.39) CYP2C9ATMMEN1KMT2A
SCHEMBL30255446 0.81 ALDH1A1 (0.39) CYP2C9ATMMEN1KMT2A
SCHEMBL28354423 0.78 MAOA (0.45) CYP2C9ATMMEN1KMT2A
SCHEMBL30262472 0.76 LMNA (0.39) CYP2C9ATMMEN1KMT2A
SCHEMBL9816846 0.76 LMNA (0.39) CYP2C9ATMMEN1KMT2A
SCHEMBL5179080 0.75 CYP2C9 (0.34) CYP2C9AURKAAURKBINCENPATM
SCHEMBL27075578 0.73 IDO1 (0.46) MEN1POLBKMT2AL3MBTL1
SCHEMBL7746252 0.72 ATM (0.33) CYP2C9ATMMEN1KMT2A
SCHEMBL1771262 0.72 ANPEP (0.37) CYP2C9ATMMEN1KMT2A
SCHEMBL1871722 0.70 PARP1 (0.35) CYP2C9ATMMEN1KMT2A

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
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO claimed
WO-2002070476-A1 PHENYLPYRROLES WITH A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2002-09-12 WO disclosed