SCHEMBL6958154

SCHEMBL6958154

COc1cc(NC(=O)O)c(Cl)cc1-c1n[nH]c(=O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
NOTUM Q6P988 11/20 0.44
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
STAT3 P40763 1/20 0.38

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
SCHEMBL8366392 0.83 KDM4E (0.43) KDM4EALDH1A1NOTUMMEN1KMT2A
SCHEMBL8366389 0.73 CTSD (0.45) KDM4EALDH1A1HSD17B10NOTUMHPGD
SCHEMBL8308838 0.73 DRD4 (0.38) ALDH1A1TDP1HPGDSTAT3
SCHEMBL7799616 0.71 HTR4 (0.36) ALDH1A1TDP1HPGDMEN1LMNA
SCHEMBL6958303 0.71 DRD4 (0.41) ALDH1A1TDP1HPGDSTAT3
SCHEMBL8307501 0.71 GPR55 (0.39) KMT2ANPSR1LRRK2
SCHEMBL7799610 0.70 HTR4 (0.38) ALDH1A1HPGDMEN1KMT2ASTAT3
SCHEMBL6961012 0.70 NOTUM (0.44) NOTUM
SCHEMBL18394492 0.66 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10GLANOTUM
SCHEMBL29664535 0.66 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10GLANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980368-B1 3-(PYRROLIDIN-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES AND THEIR USE AS 5-HT4 LIGANDS SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
EP-0975631-B1 5-ARYL-3-(8-AZABICYCLO[3.2.1]OCT-3-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES AS 5-HT4 RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2001-10-04 EP disclosed
US-6255319-B1 ANTISEROTONIN AGENT SANOFI-SYNTHELABO (FR) 2001-07-03 US disclosed
US-6248757-B1 ANTISEROTONINE AGENTS SANOFI-SYNTHELABO (FR) 2001-06-19 US disclosed
EP-0863897-B1 5-PHENYL-3-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOL-2(3H)-ONE DERIVATIVES FOR USE AS 5-HT4- OR H3-RECEPTOR LIGANDS SYNTHELABO (FR) 1999-06-16 EP disclosed