SCHEMBL9208802

SCHEMBL9208802

O=C(Nc1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 2/20 0.57
HTT P42858 2/20 0.57
USP2 O75604 1/20 0.57
NFKB1 P19838 1/20 0.57
RAB9A P51151 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
SERPINE1 P05121 1/20 0.54
MAOB P27338 3/20 0.53
HIF1A Q16665 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48

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
SCHEMBL10679964 0.93 PNLIP (0.53) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL7616879 0.89 CA12 (0.61) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL9202240 0.87 MAOB (0.59) NQO1HPGDNPC1RAB9ACA12
SCHEMBL9200984 0.87 MAOB (0.48) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL7615738 0.87 MAOB (0.56) MAPTALDH1A1HPGDKDM4ENPC1
SCHEMBL9207833 0.87 CA12 (0.56) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL11869295 0.86 SERPINE1 (0.57) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL9530740 0.85 CA12 (0.53) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL9202749 0.84 KCNQ3 (0.52) NQO1MAPTALDH1A1HPGDKDM4E
SCHEMBL9207873 0.84 SMN1; SMN2 (0.61) NQO1MAPTALDH1A1KDM4ENPC1

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 3 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 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