SCHEMBL6563646

SCHEMBL6563646

CCC(=O)N(CCC(=O)OC)c1cc(C)c(I)cc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM5A P29375 2/20 0.34
ALDH1A1 P00352 9/20 0.33
HSD17B10 Q99714 4/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1C Q13936 1/20 0.31
KDM4E B2RXH2 4/20 0.31
TSHR P16473 3/20 0.31
HPGD P15428 3/20 0.31
ALOX15 P16050 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6565234 0.66 SMN1; SMN2 (0.40) KMT2AALDH1A1HSD17B10GAAL3MBTL1
SCHEMBL31134639 0.63 KDM4E (0.42) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL10974939 0.63 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1GAAMAPK1
SCHEMBL21208575 0.62 S1PR1 (0.38) LMNA
SCHEMBL14901973 0.61 PTPN1 (0.43) KMT2AALDH1A1HSD17B10TSHRLMNA
SCHEMBL11357765 0.60 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL6340942 0.60 TSHR (0.38) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL3207994 0.60 LMNA (0.48) KMT2AALDH1A1HSD17B10GAAL3MBTL1
SCHEMBL23291713 0.60 KMT2A (0.44) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL9674982 0.60 TSHR (0.41) KMT2AMEN1ALDH1A1HSD17B10GAA

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-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed