SCHEMBL8752341

SCHEMBL8752341

CC(=O)c1c(N)oc2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ CA1 P00915 4/20 0.53
▸ CA2 P00918 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAOA P21397 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PGAM1 P18669 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP2C9 P11712 6/20 0.49

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
SCHEMBL11777344 0.85 CA1 (0.54) CA1CA2KDM4ETHRBMAOA
SCHEMBL28774097 0.83 CA1 (0.49) CA12CA9CA1CA2KDM4E
SCHEMBL15346066 0.81 CYP2C9 (0.66) CA12CA9KDM4ENPC1RAB9A
SCHEMBL7355901 0.81 KDM4E (0.50) CA1CA2KDM4ETHRBMAOA
SCHEMBL11564159 0.80 CA1 (0.49) CA12CA9CA1CA2KDM4E
SCHEMBL311250 0.78 KDM4E (0.62) CA12CA9CA1CA2KDM4E
Xanthone SCHEMBL27726954 0.76 MAOA (0.78) CA12CA9KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL28525823 0.75 CA12 (0.62) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL8802227 0.75 KDM4E (0.59) CA12CA9CA1CA2KDM4E
Xanthone SCHEMBL18138444 0.74 MAOA (0.75) CA12CA9CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561830-B1 2-AMINO-4-OXO-4H-BENZOPYRANS, A METHOD FOR PREPARING THEM, AND THEIR USE AS ANTIDOTES BASF AG (DE) 1997-04-16 — — EP claimed
EP-0561830-A1 2-AMINO-4-OXO-4H-BENZOPYRANS, A METHOD FOR PREPARING THEM, AND THEIR USE AS ANTIDOTES. BASF AG (DE) 1993-09-29 — — EP claimed
WO-1992010489-A1 2-AMINO-4-OXO-4H-BENZOPYRANS, A METHOD FOR PREPARING THEM, AND THEIR USE AS ANTIDOTES BASF AKTIENGESELLSCHAFT (DE) 1992-06-25 — — WO claimed
EP-0561830-B1 2-AMINO-4-OXO-4H-BENZOPYRANS, A METHOD FOR PREPARING THEM, AND THEIR USE AS ANTIDOTES BASF AG (DE) 1997-04-16 — — EP disclosed
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