SCHEMBL6687766

SCHEMBL6687766

O=C(O)CC(SSc1ccccn1)N1C(=O)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PKM P14618 2/20 0.38
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 5/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.34
SLC1A2 P43004 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8082242 0.89 EHMT2 (0.38) ALDH1A1EHMT2EHMT1APOBEC3GPKM
SCHEMBL616909 0.87 ALDH1A1 (0.43) ALDH1A1PKMHSD17B10KMT2AMAPT
SCHEMBL7753044 0.77 POLB (0.39) ALDH1A1EHMT2EHMT1APOBEC3GPKM
SCHEMBL2011394 0.77 ITGB3 (0.36) ALDH1A1PKMKMT2AATML3MBTL1
SCHEMBL508633 0.77 SMN1; SMN2 (0.39) ALDH1A1EHMT2EHMT1APOBEC3GPKM
SCHEMBL745826 0.76 ALDH1A1 (0.46) ALDH1A1EHMT2EHMT1APOBEC3GPKM
SCHEMBL10980060 0.76 KMT2A (0.38) ALDH1A1PKMKMT2AMAPTATM
SCHEMBL9607 0.76 KMT2A (0.43) ALDH1A1PKMKMT2AATMSLC1A2
SCHEMBL2002799 0.76 ALDH1A1 (0.46) ALDH1A1PKMHSD17B10KMT2AMAPT
Hydrogen Sulfide SCHEMBL17534845 0.75 ALDH1A1 (0.45) ALDH1A1EHMT2EHMT1APOBEC3GPKM

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-1418887-A1 HEPARIN STENT Zoucas Kirurgkonsult AB (SE) 2004-05-19 EP claimed
WO-2003011250-A1 HEPARIN STENT ZOUCAS KIRURGKONSULT AB (SE) 2003-02-13 WO claimed