SCHEMBL24074836

SCHEMBL24074836

CCC1(C2(CC)N(C)c3cccc4cccc(c34)N2C)N(C)c2cccc3cccc(c23)N1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.62
▸ KDM4E B2RXH2 9/20 0.62
▸ MAPT P10636 8/20 0.62
▸ HPGD P15428 7/20 0.62
▸ GAA P10253 5/20 0.62
▸ NSD2 O96028 5/20 0.62
▸ HSD17B10 Q99714 3/20 0.62
▸ APP P05067 1/20 0.62
▸ SNCA P37840 1/20 0.62
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ ALOX12 P18054 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ MPI P34949 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ CASP6 P55212 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL24074561 0.77 ALDH1A1 (0.76) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL9155726 0.77 KDM4E (1.00) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL19846480 0.76 KDM4E (0.61) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL26209762 0.74 KDM4E (0.50) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL17167123 0.72 KDM4E (0.62) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL24073136 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL23351420 0.68 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL24073131 0.68 KDM4E (0.52) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL24074587 0.67 KDM4E (0.75) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL24074586 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDGAA

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-2021239191-A1 PERIMIDINE DERIVATIVES AND USE THEREOF TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) 2021-12-02 — — WO disclosed
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