SCHEMBL16301207

SCHEMBL16301207

COCCCNc1c(C)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 2/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 2/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
APEX1 P27695 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL739146 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HTTHSD17B10HPGDMAPT
SCHEMBL11426739 0.81 ALDH1A1 (0.40) SMN1; SMN2HTTHSD17B10MAPTNPSR1
SCHEMBL7658940 0.80 GAA (0.45) HTTMAPTPTGS2ALDH1A1KDM4E
SCHEMBL7658960 0.80 GAA (0.41) PTGS2MEN1KMT2AGAAMAPK14
SCHEMBL7656019 0.80 GAA (0.41) HTTMAPTPTGS2KDM4EMEN1
SCHEMBL11662825 0.78 MAPK14 (0.51) HTTMAPTPTGS2KDM4EMEN1
SCHEMBL7655803 0.77 MAPK14 (0.40) SMN1; SMN2PTGS2KDM4EPOLBMEN1
SCHEMBL11310203 0.77 ALDH1A1 (0.45) SMN1; SMN2HTTHSD17B10HPGDMAPT
SCHEMBL738697 0.77 MAPT (0.54) SMN1; SMN2HTTHSD17B10HPGDMAPT
SCHEMBL11425997 0.76 KDM4E (0.39) SMN1; SMN2HTTHSD17B10MAPTNPSR1

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed