SCHEMBL8090576

SCHEMBL8090576

COC(=O)c1n[nH]c(OC(=O)Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
KDM4E B2RXH2 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 2/20 0.33
MAPT P10636 2/20 0.32
ALPL P05186 2/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9203848 0.75 KDM4C (0.44) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL16453474 0.74 KDM4C (0.53) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL9213204 0.73 KDM4C (0.56) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL31459515 0.72 KDM4C (0.50) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL11089588 0.72 KDM4C (0.50) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL8079163 0.70 KDM4C (0.45) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL11203508 0.69 HCAR2 (0.66) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL17766421 0.68 HCAR2 (0.63) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL14857837 0.68 KDM4C (0.50) KDM4CKDM4ESTAT3HIF1ANPSR1
SCHEMBL2365735 0.68 KDM4C (0.46) KDM4CKDM4ESTAT3HIF1ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051431-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-15 EP disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed