SCHEMBL23609003

SCHEMBL23609003

c1ccc(Nc2ccc(NCCn3cncn3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 6/20 0.40
CYP26A1 O43174 1/20 0.39
CSNK2A2 P19784 1/20 0.39
FGFR2 P21802 1/20 0.39
KDR P35968 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK1G2 P78368 1/20 0.39

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
SCHEMBL23609023 0.93 CSNK2A2 (0.46) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609161 0.91 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23608999 0.86 CYP19A1 (0.43) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL30406759 0.85 HTT (0.40) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609007 0.85 HTT (0.40) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609006 0.84 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609019 0.84 CSNK2A2 (0.46) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609000 0.84 CSNK2A2 (0.42) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609230 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HTTKDM4EMAPTLMNA
SCHEMBL23609075 0.82 CYP26A1 (0.40) SMN1; SMN2HTTKDM4EMAPTLMNA

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-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed