SCHEMBL5382860

SCHEMBL5382860

CCCc1c(C(=O)OCC)cnn1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK14 Q16539 1/20 0.52
ALDH1A1 P00352 5/20 0.52
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP19A1 P11511 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
PDE4B Q07343 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL21333190 0.90 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL3354812 0.87 NPC1 (0.56) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL2825933 0.85 NPC1 (0.54) SMN1; SMN2KMT2ALMNANPC1MAPK14
SCHEMBL21332805 0.84 SMN1; SMN2 (0.77) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL15920987 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL13495282 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL15921183 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL6676998 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL3265402 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KMT2ALMNANPC1ALDH1A1
SCHEMBL4832108 0.82 NPC1 (0.81) SMN1; SMN2KMT2ALMNANPC1ALDH1A1

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
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed