SCHEMBL9203879

SCHEMBL9203879

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 2/20 0.49
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ CTDSP1 Q9GZU7 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ P2RX1 P51575 2/20 0.45
▸ MAOB P27338 5/20 0.45
▸ F12 P00748 1/20 0.44
▸ MAOA P21397 2/20 0.44
▸ SERPINE1 P05121 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL9208185 0.93 P2RX1 (0.51) NQO1NPC1RAB9ACTDSP1TDP1
SCHEMBL9202075 0.93 NQO1 (0.53) NQO1NPC1RAB9ACTDSP1TDP1
SCHEMBL9200984 0.90 MAOB (0.48) NQO1NPC1RAB9AP2RX1MAOB
SCHEMBL9207067 0.88 NQO1 (0.49) NQO1NPC1RAB9ACTDSP1TDP1
SCHEMBL9203395 0.86 KMT2A (0.47) NQO1NPC1RAB9AP2RX1MAOB
SCHEMBL9202456 0.85 P2RX1 (0.48) P2RX1MAOBF12SERPINE1NT5E
SCHEMBL9201369 0.83 CA12 (0.47) NQO1NPC1RAB9ACTDSP1TDP1
SCHEMBL9199959 0.83 CA1 (0.47) NPC1RAB9AP2RX1MAOBF12
SCHEMBL8441905 0.83 P2RX1 (0.54) NPC1RAB9AP2RX1MAOBF12
SCHEMBL9208802 0.83 NQO1 (0.59) NQO1NPC1RAB9AMAOBMAOA

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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