SCHEMBL9199959

SCHEMBL9199959

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ NT5E P21589 1/20 0.43
▸ MAOB P27338 3/20 0.42
▸ NPC1 O15118 2/20 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
SCHEMBL9203395 0.93 KMT2A (0.47) CA1CA12CA9KMT2AALDH1A1
SCHEMBL9200984 0.93 MAOB (0.48) CA1CA12CA9KMT2AALDH1A1
SCHEMBL9204225 0.90 CA12 (0.51) CA1CA12CA9KMT2AALDH1A1
SCHEMBL9208185 0.88 P2RX1 (0.51) CA12CA9KMT2AMEN1MAPT
SCHEMBL7615388 0.87 CA1 (0.48) CA1CA12CA9KMT2AALDH1A1
SCHEMBL9207067 0.86 NQO1 (0.49) CA1CA12CA9KMT2AALDH1A1
SCHEMBL8441905 0.85 P2RX1 (0.54) CA12CA9KMT2AMEN1MAPT
SCHEMBL9207152 0.85 CA1 (0.45) CA1CA12CA9KMT2AALDH1A1
SCHEMBL7617329 0.84 MAOB (0.48) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL9201369 0.83 CA12 (0.47) CA1CA12CA9KMT2AALDH1A1

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