SCHEMBL9207067

SCHEMBL9207067

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.49
▸ CA1 P00915 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ EGFR P00533 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL9201369 0.93 CA12 (0.47) NQO1CA1CA12CA9NPC1
SCHEMBL9202075 0.93 NQO1 (0.53) NQO1CA12CA9NPC1RAB9A
SCHEMBL9204225 0.90 CA12 (0.51) CA1CA12CA9NPC1RAB9A
SCHEMBL9203879 0.88 NQO1 (0.49) NQO1CA1CA12CA9NPC1
SCHEMBL9199959 0.86 CA1 (0.47) CA1CA12CA9NPC1RAB9A
SCHEMBL9202545 0.85 CA1 (0.47) CA1CA12CA9KMT2AMEN1
SCHEMBL9208185 0.83 P2RX1 (0.51) NQO1CA12CA9NPC1RAB9A
SCHEMBL9203395 0.83 KMT2A (0.47) NQO1CA1CA12CA9NPC1
SCHEMBL9201784 0.83 NPC1 (0.47) NQO1CA12CA9NPC1RAB9A
SCHEMBL9207152 0.83 CA1 (0.45) CA1CA12CA9NPC1RAB9A

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
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