SCHEMBL7316103

SCHEMBL7316103

O=c1c(Br)coc2cccc(OCc3ccccc3)c12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.61
▸ MAOA P21397 1/20 0.54
▸ EDNRA P25101 1/20 0.48
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ DCPS Q96C86 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL4914778 0.76 MAOA (0.61) MAOBMAOAEDNRABCHEACHE
SCHEMBL16921617 0.74 MAPK14 (0.44) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL1483627 0.73 PPARG (0.67) MAOBEDNRABCHEACHEABCB1
SCHEMBL23258512 0.73 TDP1 (0.52) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL30558218 0.73 MAOB (0.50) MAOBMAOAPIN1
SCHEMBL27651725 0.71 MEN1 (0.60) MAOBMAOAEDNRABCHEACHE
SCHEMBL752463 0.71 EDNRA (0.69) MAOBMAOAEDNRABCHEACHE
SCHEMBL16921618 0.70 LMNA (0.58) MAOBMAOAACHEMAPTMAPK1
SCHEMBL7317979 0.70 MAOB (0.49) MAOBEDNRABCHEACHEMAPT
SCHEMBL28199307 0.70 BCHE (0.59) MAOBMAOAEDNRABCHEACHE

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
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
Send feedback