SCHEMBL5316474

SCHEMBL5316474

Cc1nc(-c2cc(C(N)=O)ccc2-c2ccccc2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NR1H4 Q96RI1 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
IP6K1 Q92551 1/20 0.46
PLK1 P53350 1/20 0.45
MAPK14 Q16539 1/20 0.45
ADORA2A P29274 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHEK2 O96017 2/20 0.42
MKNK1 Q9BUB5 2/20 0.42
AR P10275 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL29458203 0.89 NR1H4 (0.55) GAAKDM4EMAPTNPSR1HSD17B10
SCHEMBL29458181 0.86 NPSR1 (0.49) GAAKDM4EMAPTNPSR1HSD17B10
SCHEMBL5316479 0.86 NPC1 (0.54) GAAKDM4EMAPTNPSR1HSD17B10
SCHEMBL7554080 0.81 PLK1 (0.55) KDM4EMAPTNPSR1HSD17B10L3MBTL1
SCHEMBL30454185 0.80 L3MBTL1 (0.68) GAAMAPTL3MBTL1NR1H4NPC1
SCHEMBL326777 0.80 L3MBTL1 (0.68) GAAMAPTL3MBTL1NR1H4NPC1
SCHEMBL30903715 0.79 L3MBTL1 (0.52) MAPTHSD17B10L3MBTL1IP6K1MEN1
SCHEMBL2026663 0.79 L3MBTL1 (0.52) MAPTHSD17B10L3MBTL1IP6K1MEN1
SCHEMBL7445617 0.78 PLK1 (0.51) KDM4EMAPTNPSR1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL28812686 0.77 CHEK2 (0.50) MAPTHSD17B10L3MBTL1IP6K1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007077457-A9 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS ROYAL VETERINARY COLLEGE (GB) 2007-10-18 WO claimed
WO-2007077457-A2 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS THE ROYAL VETERINARY COLLEGE (GB) 2007-07-12 WO claimed
EP-0763034-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP claimed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
WO-2007077457-A9 TREATMENT OF EQUINE LAMINITIS WITH 5-HT1B/ 1D ANTAGONISTS ROYAL VETERINARY COLLEGE (GB) 2007-10-18 WO disclosed
EP-0758330-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP disclosed
WO-1995030675-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-11-16 WO disclosed