SCHEMBL22246773

SCHEMBL22246773

CCCCNc1ccc(NC(=O)n2cc(N)c(C3CCCCC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 4/20 0.37
▸ ENPP2 Q13822 7/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL25120811 0.81 ATR (0.45) ALDH1A1EPHX1EPHX2MEN1RAB9A
SCHEMBL25120805 0.80 MERTK (0.34) MERTKPKM
SCHEMBL22246774 0.73 GAA (0.35) MERTKALDH1A1GAAMEN1MAPT
SCHEMBL23719135 0.72 EPHX1 (0.43) MERTKALDH1A1PKMEPHX1EPHX2
SCHEMBL29220635 0.66 NAAA (0.58) MERTKENPP2EPHX1EPHX2MAPT
SCHEMBL22246679 0.65 ALDH1A1 (0.54) ALDH1A1GAAMEN1MAPTRAB9A
SCHEMBL28697839 0.65 GAA (0.58) ALDH1A1GAARAB9A
SCHEMBL22407656 0.63 KDM4E (0.63) ALDH1A1PKMGAAHTTMEN1
SCHEMBL22407647 0.63 KDM4E (0.63) ALDH1A1PKMGAAHTTMEN1
SCHEMBL1498813 0.62 RAB9A (0.38) MERTKALDH1A1EPHX1EPHX2CNR2

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-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 — — WO disclosed
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