SCHEMBL7320703

SCHEMBL7320703

O=c1cc(N2CCOCC2)oc2ccc(Cl)cc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.68
ACE P12821 1/20 0.68
ECE1 P42892 1/20 0.68
XRCC6 P12956 1/20 0.63
XRCC5 P13010 1/20 0.63
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3R2 O00459 1/20 0.53
PIK3CD O00329 1/20 0.50
PIK3CG P48736 1/20 0.50

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
SCHEMBL7323875 0.89 PRKDC (0.71) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7323684 0.83 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL3537000 0.83 PRKDC (0.80) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7317582 0.83 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL3537645 0.83 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL30218216 0.81 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL3361567 0.81 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL30768029 0.80 PRKDC (0.69) PRKDCACEECE1XRCC6XRCC5
SCHEMBL31060404 0.80 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL29160429 0.80 PRKDC (0.65) PRKDCACEECE1XRCC6XRCC5

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
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US claimed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP claimed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed