SCHEMBL16322845

SCHEMBL16322845

COc1ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2C)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 8/20 0.45
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
ALDH1A1 P00352 2/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL29352162 1.00 RAB9A (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL340919 1.00 RAB9A (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL16322841 1.00 RAB9A (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL6928762 0.90 MEN1 (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL29352667 0.90 MEN1 (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12760851 0.90 MEN1 (0.48) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL29785507 0.88 GRIN2D (0.44) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL21436651 0.88 GRIN2D (0.44) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL92091 0.85 GRIN2D (0.41) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL28398444 0.85 GRIN2D (0.41) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014202216-A1 RESIN IMPREGNATED COATED ARTICLE WITH IMPROVED AESTHETIC PROPERTIES SURFACTOR GERMANY GMBH (DE) 2014-12-24 WO disclosed