SCHEMBL25028302

SCHEMBL25028302

N#Cc1ccc(-c2nc3cc4sc(-c5ccc(C#N)cc5)nc4cc3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 11/20 0.68
▸ MAPT P10636 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SULT1A1 P50225 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL10424579 0.84 MAPT (0.62) APPMAPTKDM4ENPC1GAA
SCHEMBL16150833 0.84 APP (0.67) APPMAPTKDM4ENPC1GAA
SCHEMBL6807683 0.84 APP (0.67) APPMAPTKDM4ENPC1GAA
SCHEMBL24332359 0.83 APP (0.78) APPMAPTKDM4ENPC1GAA
SCHEMBL24038224 0.83 APP (0.72) APPMAPTKDM4ENPC1GAA
SCHEMBL29928086 0.83 APP (0.63) APPMAPTKDM4ENPC1GAA
SCHEMBL6807684 0.83 APP (0.63) APPMAPTKDM4ENPC1GAA
SCHEMBL24332463 0.82 APP (0.72) APPMAPTKDM4ENPC1GAA
SCHEMBL23954403 0.82 APP (0.51) APPMAPTKDM4ENPC1GAA
SCHEMBL24332276 0.81 APP (0.58) APPMAPTKDM4ENPC1GAA

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
US-20230050869-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-02-16 — — US disclosed
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