SCHEMBL9202456

SCHEMBL9202456

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 2/20 0.48
▸ P2RX4 Q99571 2/20 0.48
▸ P2RX7 Q99572 2/20 0.48
▸ TMPRSS4 Q9NRS4 2/20 0.48
▸ IL2 P60568 1/20 0.45
▸ MAOB P27338 4/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ F12 P00748 1/20 0.44
▸ RHOC P08134 2/20 0.43
▸ RHOA P61586 2/20 0.43
▸ ENPP3 O14638 1/20 0.43
▸ ENPP1 P22413 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ SERPINE1 P05121 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NT5E P21589 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ SLC2A1 P11166 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
SCHEMBL8441905 0.93 P2RX1 (0.54) P2RX1P2RX4P2RX7TMPRSS4IL2
SCHEMBL9207126 0.90 MAOB (0.47) P2RX1TMPRSS4IL2MAOBCA12
SCHEMBL9202545 0.89 CA1 (0.47) TMPRSS4IL2MAOBCA12CA9
SCHEMBL9200984 0.87 MAOB (0.48) P2RX1MAOBCA12CA9F12
SCHEMBL9202197 0.86 ALDH1A1 (0.47) F10
SCHEMBL9208790 0.86 KCNQ3 (0.56) —
SCHEMBL9530558 0.86 TRPV1 (0.54) MAOBSERPINE1
SCHEMBL9203879 0.85 NQO1 (0.49) P2RX1MAOBCA12CA9F12
SCHEMBL9208185 0.83 P2RX1 (0.51) P2RX1MAOBCA12CA9F12
SCHEMBL9203395 0.83 KMT2A (0.47) P2RX1MAOBCA12CA9F12

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-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
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