SCHEMBL7329480

SCHEMBL7329480

O=c1cc(N2CCOCC2)oc2c(OCc3ccc([N+](=O)[O-])cc3)cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 13/20 0.66
P2RY12 Q9H244 6/20 0.59
KDM4E B2RXH2 1/20 0.49
PIK3CD O00329 1/20 0.49
PDE2A O00408 1/20 0.49
PIK3C2A O00443 1/20 0.49
PIK3R2 O00459 1/20 0.49
PIK3C2B O00750 1/20 0.49
BRD4 O60885 1/20 0.49
PDE5A O76074 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
PIM1 P11309 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CSNK2A2 P19784 1/20 0.49

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
SCHEMBL910153 0.87 PRKDC (0.84) PRKDCP2RY12KDM4EPIK3CDPDE2A
SCHEMBL7326992 0.87 P2RY12 (0.76) P2RY12
SCHEMBL7319771 0.86 PRKDC (0.70) PRKDCP2RY12KDM4EPIK3CDPDE2A
SCHEMBL7327041 0.86 PRKDC (0.70) PRKDCP2RY12
SCHEMBL7318138 0.84 PRKDC (0.77) PRKDCP2RY12PIK3CG
SCHEMBL7328209 0.84 P2RY12 (0.77) PRKDCP2RY12PIK3CD
SCHEMBL7327201 0.83 PRKDC (0.67) PRKDCP2RY12
SCHEMBL7324488 0.83 PRKDC (0.67) PRKDCP2RY12
SCHEMBL7326707 0.83 PRKDC (0.66) PRKDCP2RY12KDM4EPIK3CDPDE2A
SCHEMBL7320821 0.81 PRKDC (0.67) PRKDCP2RY12PIK3CDPIK3R2BRD4

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 6 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
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 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