SCHEMBL3528455

SCHEMBL3528455

CCCS(=O)(=O)N1CCc2nc(NC(=O)c3cccc4ccccc34)ncc2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
TMPRSS2 O15393 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
ENPP2 Q13822 1/20 0.38
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.37
KDR P35968 2/20 0.37
PDGFRB P09619 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3529483 0.81 CYP1A2 (0.47) POLBLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3536349 0.80 ENPP2 (0.59) POLBLMNATMPRSS2GAAENPP2
SCHEMBL3532235 0.79 L3MBTL1 (0.48) POLBLMNAHPGDSMN1; SMN2MAPK1
SCHEMBL5545020 0.77 KDR (0.47) SMN1; SMN2ALDH1A1KDRPDGFRBNPC1
SCHEMBL3528207 0.76 ENPP2 (0.43) MAPK1TMPRSS2ENPP2MAPK10KDR
SCHEMBL3530813 0.74 KDR (0.55) HPGDSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL3530577 0.73 MAPT (0.48) MAPK1KMT2AMEN1KDRPDGFRB
SCHEMBL3529849 0.72 POLB (0.46) POLBLMNAKMT2AALDH1A1KDM4E
SCHEMBL3530929 0.72 ENPP2 (0.46) ENPP2KDRPDGFRBNPC1RAB9A
SCHEMBL3532982 0.70 CYP1A2 (0.52) SMN1; SMN2MAPK1KMT2AMEN1GAA

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-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US claimed