SCHEMBL8963341

SCHEMBL8963341

CCOC(=O)C(C)c1n[nH]c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ADORA3 P0DMS8 11/20 0.48
ADORA2A P29274 10/20 0.48
ADORA1 P30542 5/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRNP P04156 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL7059235 0.76 ALDH1A1 (0.51) ADORA3ADORA2AADORA1LMNAALDH1A1
SCHEMBL14748615 0.74 NR1H2 (0.55) TSHRADORA3ADORA2AADORA1LMNA
SCHEMBL16154002 0.74 LMNA (0.60) TSHRADORA3ADORA2AADORA1LMNA
SCHEMBL5983555 0.69 MMP8 (0.57) TSHRLMNAGAAKMT2A
SCHEMBL10756249 0.69 MMP8 (0.57) TSHRLMNAGAAKMT2A
SCHEMBL304815 0.69 MMP8 (0.57) TSHRLMNAGAAKMT2A
SCHEMBL16746841 0.69 CTSK (0.51) TSHRALDH1A1GAAKMT2AMAPK1
SCHEMBL2392888 0.68 LMNA (0.46) TSHRLMNAALDH1A1GAAHPGD
SCHEMBL8429965 0.68 KMT2A (0.46) TSHRLMNAALDH1A1GAAHPGD
SCHEMBL27475261 0.68 PIN1 (0.68) TSHRLMNAALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489602-A HYPOGLYCEMIC AND HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed