SCHEMBL23724054

SCHEMBL23724054

CCCCCCc1csc(-c2c3nc(-c4cccs4)c(-c4cccs4)nc3c(-c3cc(CCCCCC)cs3)c3nc(-c4cccs4)c(-c4cccs4)nc23)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.39
▸ RPS6KB2 Q9UBS0 4/20 0.38
▸ DHFR P00374 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ SREBF2 Q12772 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL23723956 0.94 ADK (0.36) ADKRPS6KB2DHFRNR1H4KDM4E
SCHEMBL12715532 0.89 ADK (0.39) ADKRPS6KB2DHFRNR1H4KDM4E
SCHEMBL12122387 0.83 KDM4E (0.39) KDM4EALDH1A1GAAADORA2A
SCHEMBL27911329 0.83 KDM4E (0.39) KDM4EALDH1A1GAAADORA2A
SCHEMBL18044490 0.83 KDM4E (0.39) KDM4EALDH1A1GAAADORA2A
SCHEMBL12715522 0.81 ADK (0.38) ADKRPS6KB2DHFRNR1H4KDM4E
SCHEMBL13963826 0.78 ALDH1A1 (0.44) KDM4EALDH1A1GAA
SCHEMBL12930352 0.78 ALDH1A1 (0.44) KDM4EALDH1A1GAA
SCHEMBL12715534 0.78 ADK (0.36) ADK
SCHEMBL22068752 0.78 PTGS2 (0.33) DHFRKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102448-A1 PHOTOACTIVE MATERIAL SUMITOMO CHEMICAL CO., LTD. (JP) 2023-03-30 — — US disclosed
WO-2021156605-A1 PHOTOACTIVE MATERIAL SUMITOMO CHEMICAL CO., LTD (JP) 2021-08-12 — — WO disclosed
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