SCHEMBL24842

SCHEMBL24842

CON=C1CCc2cc(I)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
TDP2 O95551 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13606738 0.81 MAPT (0.47) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1855812 0.79 SRD5A1 (0.42) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL29854633 0.79 SRD5A1 (0.42) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1855814 0.79 SRD5A1 (0.42) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL2688156 0.78 MAPT (0.38) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1857232 0.78 MAPT (0.38) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL1857233 0.78 MAPT (0.38) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL18608901 0.77 MAPT (0.39) MAPTRAB9ANPC1NFKB1NFKB2
SCHEMBL15340735 0.77 MAPT (0.40) MAPTNPC1ALDH1A1KMT2AMEN1
SCHEMBL24844 0.76 ALDH1A1 (0.39) MAPTRAB9ANPC1NFKB1NFKB2

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-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed