SCHEMBL9199683

SCHEMBL9199683

O=C(Nc1ccccn1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 6/20 0.57
LMNA P02545 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
HTT P42858 2/20 0.57
USP2 O75604 1/20 0.57
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
HIF1A Q16665 1/20 0.54
PKM P14618 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRM5 P41594 1/20 0.49

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
SCHEMBL9204186 0.83 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9207064 0.83 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9207873 0.83 SMN1; SMN2 (0.61) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9204859 0.82 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9203408 0.81 NPC1 (0.63) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL7616879 0.80 CA12 (0.61) TP53SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9527914 0.79 CA12 (0.51) TP53SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9208802 0.78 NQO1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9206976 0.78 KDM4E (0.57) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9207108 0.78 CA12 (0.52) TP53SMN1; SMN2ALDH1A1LMNAKDM4E

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