SCHEMBL7328899

SCHEMBL7328899

O=c1c(Br)c(N2CCOCC2)oc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 11/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
ACE P12821 1/20 0.54
ECE1 P42892 1/20 0.54
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PGAM1 P18669 1/20 0.44
MAOA P21397 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ATM Q13315 2/20 0.43

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
SCHEMBL7319096 0.82 PRKDC (0.54) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7314957 0.82 PRKDC (0.54) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7320806 0.82 PRKDC (0.54) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7327192 0.79 ABCG2 (0.52) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL19183554 0.79 PRKDC (0.50) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7324917 0.78 KMT2A (0.53) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL7318617 0.78 LMNA (0.65) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL29160479 0.78 TTR (0.48) PRKDCKDM4EALDH1A1KMT2AMAPT
SCHEMBL8799186 0.77 PRKDC (0.45) PRKDCKDM4EALDH1A1ACEECE1
SCHEMBL8799185 0.77 PRKDC (0.45) 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 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
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