SCHEMBL23609486

SCHEMBL23609486

c1ccc(CCNc2ccc(NCCCn3cncn3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP19A1 P11511 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
CSNK2A2 P19784 1/20 0.42
FGFR2 P21802 1/20 0.42
KDR P35968 1/20 0.42
CSNK1A1 P48729 1/20 0.42

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
SCHEMBL23875506 0.89 MAPT (0.51) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL6965842 0.81 CYP19A1 (0.54) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL6648239 0.81 CYP19A1 (0.62) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL23609248 0.80 TLR8 (0.45) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL23875581 0.79 CYP19A1 (0.51) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL7138301 0.77 CYP19A1 (0.67) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL25797518 0.77 CYP19A1 (0.48) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL23861179 0.77 CYP19A1 (0.54) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL23875613 0.75 MAPT (0.45) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL11653014 0.73 L3MBTL1 (0.86) LMNANPC1RAB9ASMN1; SMN2MAPT

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