SCHEMBL23954281

SCHEMBL23954281

C#Cc1ccc(-c2nc3sc(-c4ccc(C#C)cc4)nc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ APP P05067 3/20 0.35
▸ EGLN2 Q96KS0 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13813849 0.79 APP (0.49) APPADORA3ADORA2AADORA1NPC1
SCHEMBL23954403 0.77 APP (0.51) APPDYRK1AKDM4ENPC1RAB9A
SCHEMBL10411583 0.74 RAB9A (0.63) APPKDM4ENPC1PKMRAB9A
SCHEMBL11083839 0.74 APP (0.60) APPKDM4ENPC1PKMRAB9A
SCHEMBL10987723 0.74 DYRK1A (0.55) HDAC8APPDYRK1AKDM4ENPC1
SCHEMBL27892930 0.73 RAB9A (0.61) APPKDM4ENPC1PKMRAB9A
Ethylene SCHEMBL27911633 0.72 RAB9A (0.59) APPKDM4ENPC1PKMRAB9A
SCHEMBL28032240 0.72 PDPK1 (0.57) KEAP1HDAC8
SCHEMBL13801077 0.71 ALOX5 (0.50) APPKDM4E
SCHEMBL13801070 0.71 ALOX5 (0.53) APPKDM4ENPC1RAB9ASMN1; SMN2

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
EP-3902021-A1 THERMOELECTRIC CONVERSION MATERIAL, AND THERMOELECTRIC CONVERSION ELEMENT PREPARED THEREWITH Toyo Ink SC Holdings Co., Ltd. (JP) 2021-10-27 — — EP disclosed
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