SCHEMBL17779549

SCHEMBL17779549

c1ccc(-c2ccccc2Nc2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTGIR P43119 1/20 0.39
▸ CDC25B P30305 2/20 0.38
▸ F9 P00740 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ GPR3 P46089 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL24156127 0.96 ALOX5 (0.41) SIRT2SIRT1MAPTKDM4EMEN1
SCHEMBL17760251 0.92 SIRT2 (0.39) SIRT2SIRT1MAPTKDM4EMEN1
SCHEMBL25124648 0.91 SIRT2 (0.39) SIRT2SIRT1MAPTKDM4EMEN1
SCHEMBL18294162 0.91 PIM3 (0.40) MAPTKDM4EMEN1GLAGAA
SCHEMBL29514897 0.89 PTGIR (0.48) MAPTKDM4EMEN1GLAGAA
SCHEMBL18216689 0.89 PTGIR (0.48) MAPTKDM4EMEN1GLAGAA
SCHEMBL23168466 0.89 MAPT (0.43) MAPTKDM4EMEN1GLAGAA
SCHEMBL17760764 0.89 ALK (0.38) SIRT2SIRT1MAPTKDM4EMEN1
SCHEMBL25536385 0.89 FADS1 (0.41) SIRT2SIRT1MAPTKDM4EMEN1
SCHEMBL17968618 0.88 FABP3 (0.43) MAPTMEN1KMT2ATDP1PTGIR

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-2016079667-A1 INDOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS IDEMITSU KOSAN CO., LTD. (JP) 2016-05-26 — — WO disclosed
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