SCHEMBL9207126

SCHEMBL9207126

O=C(Nc1ccc(F)cc1)c1c(O)c2ccc(C(F)(F)F)cc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.47
▸ MAOA P21397 1/20 0.47
▸ IL2 P60568 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ SNCA P37840 1/20 0.42
▸ SERPINE1 P05121 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NQO1 P15559 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ SCN8A Q9UQD0 2/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ P2RX1 P51575 1/20 0.39

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
SCHEMBL9202545 0.90 CA1 (0.47) MAOBIL2CA12CA9SERPINE1
SCHEMBL9202456 0.90 P2RX1 (0.48) MAOBIL2CA12CA9SERPINE1
SCHEMBL9202075 0.88 NQO1 (0.53) MAOBMAOACA12CA9SNCA
SCHEMBL9530558 0.87 TRPV1 (0.54) MAOBSERPINE1NPC1SCN8ASCN10A
SCHEMBL8441905 0.85 P2RX1 (0.54) MAOBIL2CA12CA9MAPT
SCHEMBL9208790 0.85 KCNQ3 (0.56) —
SCHEMBL9208185 0.84 P2RX1 (0.51) MAOBMAOACA12CA9SNCA
SCHEMBL9201369 0.84 CA12 (0.47) MAOBMAOACA12CA9SNCA
SCHEMBL9205476 0.83 MAPT (0.52) L3MBTL1LMNAMAPTNPC1RAB9A
SCHEMBL8441752 0.82 VKORC1 (0.58) MAOBMAOACA12CA9L3MBTL1

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-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP claimed
EP-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP claimed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO claimed
EP-0550493-B1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS UPJOHN CO (US) 1995-08-09 — — EP disclosed
EP-0550493-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1993-07-14 — — EP disclosed
WO-1992006083-A1 ANTHELMINTIC AND ANTICOCCIDAL 3-CARBAMOYL-4-HYDROXYCOUMARINS, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-04-16 — — WO disclosed
Send feedback