SCHEMBL7460760

SCHEMBL7460760

COc1ccc2c(c1)OC(CCO)C(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 3/20 0.46
HTT P42858 1/20 0.44
BRD4 O60885 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
CA2 P00918 2/20 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
SCHEMBL7468450 0.90 L3MBTL1 (0.62) L3MBTL1KMT2AMEN1MAPTMAPK1
SCHEMBL7465795 0.82 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1HSD17B10BRD4
SCHEMBL7478469 0.81 KMT2A (0.46) KMT2AMEN1MAPTMAPK1HSD17B10
SCHEMBL7466727 0.80 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1MAPTMAPK1
SCHEMBL3598938 0.80 L3MBTL1 (0.53) L3MBTL1KMT2AMEN1MAPTMAPK1
SCHEMBL30060716 0.79 CA2 (0.46) KMT2AMEN1MAPTMAPK1HSD17B10
SCHEMBL914279 0.79 CA2 (0.46) KMT2AMEN1MAPTMAPK1HSD17B10
SCHEMBL13870348 0.77 PARP1 (0.57) KMT2AMEN1BRD4ALDH1A1CA2
SCHEMBL7476036 0.76 ALDH1A1 (0.67) L3MBTL1KMT2AMEN1MAPTMAPK1
SCHEMBL13135833 0.76 CA2 (0.46) KMT2AMEN1MAPTMAPK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed