SCHEMBL17124813

SCHEMBL17124813

CCCCCCCCn1c2cc(C)sc2c2sc(-c3ccc(C)s3)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TLR8 Q9NR97 5/20 0.36
▸ PSEN1 P49768 8/20 0.36
▸ PSEN2 P49810 8/20 0.36
▸ APH1B Q8WW43 8/20 0.36
▸ NCSTN Q92542 8/20 0.36
▸ APH1A Q96BI3 8/20 0.36
▸ PSENEN Q9NZ42 8/20 0.36
▸ TP53 P04637 1/20 0.34
▸ SLC9A1 P19634 2/20 0.33
▸ HSF1 Q00613 1/20 0.33

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
SCHEMBL8739988 0.86 PKM (0.46) PKMKDM4EALDH1A1TLR8PSEN1
SCHEMBL14015496 0.85 KDM4E (0.33) KDM4EALDH1A1GAATLR8PSEN1
SCHEMBL14015491 0.83 PKM (0.31) PKM
SCHEMBL12758119 0.83 PKM (0.42) PKMKDM4EALDH1A1GAAPSEN1
SCHEMBL14015489 0.80 PKM (0.31) PKM
SCHEMBL12264597 0.80 PKM (0.33) PKM
SCHEMBL15442929 0.80 PKM (0.42) PKMKDM4EALDH1A1GAATLR8
SCHEMBL14015494 0.80 JAK2 (0.37) TLR8PSEN1PSEN2APH1BNCSTN
SCHEMBL15730456 0.79 PKM (0.36) PKM
SCHEMBL23731047 0.78 PKM (0.39) PKMKDM4EALDH1A1GAATLR8

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-20150279504-A1 FILM FORMING COMPOSITION COMPRISING GRAPHENE MATERIAL AND CONDUCTING POLYMER SOLVAY (BE) 2015-10-01 — — US disclosed
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