SCHEMBL25028048

SCHEMBL25028048

N#Cc1ccc(-c2nc3c(Br)c4sc(-c5ccc(C#N)cc5)nc4c(Br)c3s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.42
▸ CDC25A P30304 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ LIMK1 P53667 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL17059006 0.78 APP (0.44) APPCDC25ACDC25BCDC25CGAA
SCHEMBL13813849 0.74 APP (0.49) APPCDC25ACDC25BCDC25CGAA
SCHEMBL27307256 0.73 APP (0.43) APPCDC25ACDC25BCDC25CGAA
SCHEMBL25028302 0.69 APP (0.68) APPGAAKDM4ENPC1RAB9A
SCHEMBL6807683 0.69 APP (0.67) APPGAAKDM4ENPC1RAB9A
SCHEMBL21089514 0.67 ALDH1A1 (0.40) APPGAAKDM4EADORA3ADORA2A
SCHEMBL21089515 0.67 CYP11B1 (0.37) MMP3
SCHEMBL12003113 0.67 APP (0.43) APPCDC25ACDC25BCDC25CHRH3
SCHEMBL9629262 0.67 KDM4E (0.54) GAAKDM4E
SCHEMBL29928086 0.67 APP (0.63) APPGAAKDM4ENPC1RAB9A

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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