SCHEMBL8550488

SCHEMBL8550488

COC(=O)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
EED O75530 1/20 0.44
RBBP4 Q09028 1/20 0.44
SUZ12 Q15022 1/20 0.44
EZH2 Q15910 1/20 0.44
AEBP2 Q6ZN18 1/20 0.44
GLS O94925 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
EPHX1 P07099 1/20 0.42
STS P08842 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 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
SCHEMBL8553020 0.88 THRB (0.46) KDM4EMAPTTHRBGLSGPR119
SCHEMBL31704512 0.87 ALDH1A1 (0.48) KDM4EMAPTTHRBGLSALDH1A1
SCHEMBL31169229 0.82 THRB (0.48) KDM4EMAPTTHRBGLSGPR119
SCHEMBL26450489 0.81 GPR119 (0.53) KDM4EMAPTTHRBGLSGPR119
SCHEMBL6538550 0.80 GPR119 (0.55) MAPTTHRBGPR119PTPN2PTPN1
SCHEMBL9408006 0.80 GPR119 (0.53) GPR119PTPN2PTPN1PTPN6JAK2
SCHEMBL8590974 0.79 L3MBTL1 (0.44) MAPTTHRBEPHX1
SCHEMBL8553067 0.79 GLS (0.38) KDM4EMAPTTHRBGLSALDH1A1
SCHEMBL14164236 0.79 GPR119 (0.48) KDM4EMAPTTHRBEEDRBBP4
SCHEMBL8549545 0.78 L3MBTL1 (0.43) KDM4EMAPTTHRBGLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed