SCHEMBL9202545

SCHEMBL9202545

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.47
▸ SERPINE1 P05121 1/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.43
▸ MAOB P27338 5/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL9207126 0.90 MAOB (0.47) SERPINE1TMPRSS4MAOBCA12CA9
SCHEMBL9202456 0.89 P2RX1 (0.48) SERPINE1TMPRSS4MAOBCA12CA9
SCHEMBL9207152 0.89 CA1 (0.45) CA1MAOBMEN1HTTKMT2A
SCHEMBL9204225 0.87 CA12 (0.51) CA1MAOBMEN1HTTKMT2A
SCHEMBL9530558 0.86 TRPV1 (0.54) SERPINE1MAOBMEN1HTTKMT2A
SCHEMBL9207067 0.85 NQO1 (0.49) CA1MAOBMEN1HTTKMT2A
SCHEMBL8441905 0.84 P2RX1 (0.54) TMPRSS4MAOBMEN1KMT2ACA12
SCHEMBL9530329 0.84 CA12 (0.47) CA1MAOBMEN1HTTKMT2A
SCHEMBL9200114 0.84 NPC1 (0.44) MAOBMEN1HTTKMT2ACA12
SCHEMBL9201369 0.83 CA12 (0.47) CA1MAOBMEN1HTTKMT2A

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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