SCHEMBL9201128

SCHEMBL9201128

O=C(Nc1ccc(F)cc1F)c1c(O)c2ccc(Br)cc2oc1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NQO1 P15559 1/20 0.43
▸ PTGFR P43088 2/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TSHR P16473 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
SCHEMBL9201369 0.85 CA12 (0.47) NPC1RAB9ACA12CA9POLB
SCHEMBL9208042 0.85 NPC1 (0.61) NPC1RAB9ACA12CA9POLB
SCHEMBL9207067 0.83 NQO1 (0.49) NPC1RAB9ACA12CA9POLB
SCHEMBL9204225 0.80 CA12 (0.51) NPC1RAB9ACA12CA9MAPT
SCHEMBL9201784 0.78 NPC1 (0.47) NPC1RAB9ACA12CA9POLB
SCHEMBL9202075 0.77 NQO1 (0.53) NPC1RAB9ACA12CA9POLB
SCHEMBL9203395 0.76 KMT2A (0.47) NPC1RAB9ACA12CA9MAPT
SCHEMBL9528732 0.74 CA12 (0.45) NPC1RAB9ACA12CA9MAPT
SCHEMBL9203879 0.74 NQO1 (0.49) NPC1RAB9ACA12CA9MAPT
SCHEMBL9530329 0.73 CA12 (0.47) NPC1RAB9ACA12CA9POLB

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-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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