SCHEMBL8799185

SCHEMBL8799185

O=c1c(OCCBr)c(N2CCOCC2)oc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ACE P12821 1/20 0.45
ECE1 P42892 1/20 0.45
MAOB P27338 1/20 0.44
KCNA3 P22001 1/20 0.42
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL8882576 0.85 ALDH1A1 (0.47) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL3540173 0.83 PRKDC (0.50) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7327192 0.81 ABCG2 (0.52) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL8881017 0.80 ABCB1 (0.48) MAOB
SCHEMBL8882070 0.80 P2RY12 (0.53) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7320730 0.80 P2RY12 (0.48) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL8799186 0.79 PRKDC (0.45) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL18340299 0.77 KCNA3 (0.55) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7326699 0.77 MAPT (0.55) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7328899 0.77 PRKDC (0.54) PRKDCKDM4EALDH1A1ACEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO disclosed