SCHEMBL8882973

SCHEMBL8882973

O=C(Cc1cccc2c(=O)cc(N3CCOCC3)oc12)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 17/20 0.61
KDM4E B2RXH2 3/20 0.57
PIK3CA P42336 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PIK3R1 P27986 2/20 0.57
MTOR P42345 2/20 0.57
PDE2A O00408 2/20 0.57
PIK3CD O00329 1/20 0.57
PIK3C2A O00443 1/20 0.57
PIK3R2 O00459 1/20 0.57
PIK3C2B O00750 1/20 0.57
BRD4 O60885 1/20 0.57
PDE5A O76074 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
PIM1 P11309 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL7318825 0.85 PRKDC (0.63) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL7327274 0.81 PRKDC (0.80) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL1461166 0.79 PRKDC (0.67) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL7322040 0.79 P2RY12 (0.75)
SCHEMBL7330662 0.78 PRKDC (0.65) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL909861 0.77 PRKDC (0.65) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL30768021 0.76 PIK3CA (0.65) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL7319895 0.75 PRKDC (0.64) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL909885 0.74 PRKDC (0.61) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2
SCHEMBL4281033 0.74 PRKDC (0.65) PRKDCKDM4EPIK3CAALDH1A1SMN1; SMN2

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 2 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
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