SCHEMBL9056428

SCHEMBL9056428

O=c1oc2ccc(F)cc2cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MIF P14174 1/20 0.42
MAOB P27338 2/20 0.42
NQO1 P15559 1/20 0.41
MAOA P21397 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
SCHEMBL15065832 0.85 POLB (0.46) CA12CA1CA2CA9LMNA
SCHEMBL10791831 0.78 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL11831412 0.78 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL7971600 0.78 MAOB (0.68) CA12CA1CA2CA9MAPT
SCHEMBL28994275 0.78 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL4874886 0.78 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL10602125 0.78 MAOB (0.68) CA12CA1CA2CA9LMNA
SCHEMBL9056197 0.78 MAOB (0.65) CA12CA1CA2CA9MAOB
SCHEMBL28994493 0.77 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL20210894 0.76 CA12 (0.46) CA12CA1CA2CA9LMNA

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
EP-0185319-B1 FLUORO COUMARINS AS ANTILYMPHOEDEMA AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-09-06 EP claimed
EP-0185319-A2 Fluoro coumarins as antilymphoedema agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-06-25 EP claimed
WO-1996012718-A1 NOUVELLES 2-[1-(φ-PHENOXYALCOYLPIPERIDIN-4-YL)AMINOMETHYLENE]-2H-BENZOFURAN-3-ONES SUBSTITUEES, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO disclosed
EP-0185319-B1 FLUORO COUMARINS AS ANTILYMPHOEDEMA AGENTS BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-09-06 EP disclosed
US-4749798-A ANTIINFLAMMATORY, ANTISWELLING BOEHRINGER BIOCHEMIA ROBIN SPA (IT) 1988-06-07 US disclosed
EP-0185319-A2 Fluoro coumarins as antilymphoedema agents BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-06-25 EP disclosed