SCHEMBL8098056

SCHEMBL8098056

Nc1cc(C2(S(=O)O)CCC2)nc(-c2ccc(NC(=O)NCCCO)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 3/20 0.37
PDGFRB P09619 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8089827 0.87 PIK3CD (0.37) KDRMAPTPIK3CDPIK3CAMTOR
SCHEMBL8090594 0.86 PIK3CD (0.40) RAB9AKDRMEN1MAPTKMT2A
SCHEMBL8081794 0.83 PIK3CA (0.44) POLBPIK3CAMTOR
SCHEMBL8083631 0.83 PIK3CD (0.41) KDM4ENPC1GLARAB9ASMN1; SMN2
SCHEMBL8097652 0.83 PIK3CD (0.38) KDM4ENPC1GLARAB9ASMN1; SMN2
SCHEMBL8096884 0.82 KDM4E (0.39) KDM4ENPC1GLARAB9ASMN1; SMN2
SCHEMBL8092884 0.81 KDR (0.41) KDRPIK3CDPIK3CA
SCHEMBL8083702 0.81 PIK3CD (0.41) KDM4ENPC1GLARAB9ASMN1; SMN2
SCHEMBL8099455 0.80 PIK3CD (0.47) KDM4ENPC1GLARAB9ASMN1; SMN2
SCHEMBL8091068 0.80 PIK3CD (0.42) KDM4ENPC1GLARAB9ASMN1; SMN2

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
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed