SCHEMBL28733796

SCHEMBL28733796

COc1ccc(COc2cc(Nc3nc(C)c(-c4ccc(C(F)(F)F)cc4)o3)cnc2C(N)=NO)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 6/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ TRPV1 Q8NER1 4/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL22925905 1.00 PPARD (0.41) PPARDNPSR1GSK3BTRPV1TRPM8
SCHEMBL29696304 0.87 IMPDH2 (0.43) PPARDNPSR1GSK3BTRPV1IMPDH2
SCHEMBL22926080 0.87 IMPDH2 (0.43) PPARDNPSR1GSK3BTRPV1IMPDH2
SCHEMBL22925907 0.83 GSK3B (0.42) PPARDGSK3BTRPV1IMPDH2PDE2A
SCHEMBL29696327 0.82 TRPV1 (0.43) NPSR1GSK3BTRPV1TRPM8IMPDH2
SCHEMBL22925892 0.82 TRPV1 (0.43) NPSR1GSK3BTRPV1TRPM8IMPDH2
SCHEMBL29696317 0.81 NPSR1 (0.43) PPARDNPSR1GSK3BIMPDH2PDE2A
SCHEMBL22925756 0.81 NPSR1 (0.43) PPARDNPSR1GSK3BIMPDH2PDE2A
SCHEMBL22925796 0.78 IMPDH2 (0.39) NPSR1IMPDH2
SCHEMBL29696291 0.78 IMPDH2 (0.39) NPSR1IMPDH2

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
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
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