SCHEMBL11519137

SCHEMBL11519137

O=C1NC(=O)c2cc(C3CCCCC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
EPHX2 P34913 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
PPOX P50336 1/20 0.44
CASP3 P42574 1/20 0.43
ACMSD Q8TDX5 2/20 0.42
PDK2 Q15119 1/20 0.42
AKR1A1 P14550 1/20 0.42
AKR1B1 P15121 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 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
SCHEMBL22048062 0.84 ESR2 (0.49) MAOAMAOBEPHX2KDM4EALDH1A1
SCHEMBL3567212 0.80 EPHX2 (0.38) MAOAMAOBEPHX2KDM4EALDH1A1
SCHEMBL3567215 0.80 EPHX2 (0.38) MAOAMAOBEPHX2KDM4EALDH1A1
SCHEMBL23374559 0.79 HDAC4 (0.45) EPHX2ALDH1A1TDP1HSP90AA1GAA
SCHEMBL11874024 0.79 HDAC4 (0.45) EPHX2ALDH1A1TDP1HSP90AA1GAA
SCHEMBL9098040 0.78 EPHX2 (0.55) MAOAMAOBEPHX2ALDH1A1TDP1
SCHEMBL9053949 0.78 EPHX2 (0.55) MAOAMAOBEPHX2ALDH1A1TDP1
SCHEMBL3561526 0.77 EPHX2 (0.66) EPHX2CASP3
SCHEMBL28376730 0.76 HDAC8 (0.46) EPHX2ALDH1A1TDP1HSP90AA1GAA
SCHEMBL28284609 0.76 EPHX2 (0.45) MAOAMAOBEPHX2ALDH1A1TDP1

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
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed