SCHEMBL11560280

SCHEMBL11560280

O=C1NCC2COc3ccc(C(F)(F)F)cc3N12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DAO P14920 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
TERT O14746 1/20 0.36
AR P10275 2/20 0.35
HCRTR2 O43614 1/20 0.35
RIPK1 Q13546 1/20 0.35
IDH1 O75874 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL11565003 0.80 NOS3 (0.36) GAAMAPTKDM4ELMNAPARP1
SCHEMBL11561840 0.80 TSHR (0.39) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL11559379 0.76 CYP19A1 (0.41) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL11564273 0.75 DAO (0.38) GAAMAPTALDH1A1L3MBTL1DAO
SCHEMBL11560238 0.73 KDM4E (0.35) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL11557884 0.72 HTR2A (0.38) KMT2AMEN1GAAMAPTKDM4E
SCHEMBL11556910 0.71 SCN9A (0.39) ALDH1A1TERTHCRTR2RIPK1IDH1
SCHEMBL11559070 0.68 SCN9A (0.38) KDM4EALDH1A1HCRTR2LMNA
SCHEMBL13595220 0.67 HTR2C (0.66) HTR2AHTR2CHTR2B
SCHEMBL11556049 0.66 SIRT2 (0.33) KMT2AMEN1MAPTALDH1A1HCRTR2

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-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 US disclosed