SCHEMBL5244591

SCHEMBL5244591

Cc1ccsc1CNC(=O)c1cn(-c2ccc(C(=O)NCC(F)(F)F)cc2OCCOCCF)nn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DDT P30046 3/20 0.34
▸ MIF P14174 2/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ GLS O94925 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ APP P05067 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL5245552 0.92 PDE10A (0.36) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5244109 0.87 MIF (0.47) MIFMAPK1LMNA
SCHEMBL5248109 0.86 EGLN1 (0.38) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5245389 0.86 P2RX3 (0.37) DDTPSEN1PSEN2APH1BNCSTN
SCHEMBL5246077 0.86 MMP13 (0.37) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5244708 0.85 DDT (0.35) DDTMIFPSEN1PSEN2APH1B
SCHEMBL5246041 0.85 MIF (0.45) DDTMIFPSEN1PSEN2APH1B
SCHEMBL3102931 0.84 TP53 (0.39) MAPK1LMNA
SCHEMBL3104911 0.84 S1PR1 (0.41) NOTUM
SCHEMBL3111267 0.84 GLS (0.43) DDTMIFPSEN1PSEN2APH1B

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-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
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