SCHEMBL25160801

SCHEMBL25160801

CC(I)c1ccc(-n2ccn(CC(F)(F)F)c2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PDE2A O00408 2/20 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
SCHEMBL20644611 0.81 MAPT (0.39) MAPTRXFP1LMNATP53
SCHEMBL25160147 0.71 MAPT (0.38) MAPT
SCHEMBL20644375 0.69 MAPT (0.39) MAPTTP53
SCHEMBL25669483 0.68 MGLL (0.41) MAPTLMNATP53
SCHEMBL20644489 0.66 LIPG (0.34) —
SCHEMBL25685423 0.64 MAPT (0.43) MAPTRXFP1LMNATP53
SCHEMBL20644452 0.64 PPARD (0.49) MAPT
SCHEMBL7438101 0.63 PDE2A (0.52) PDE2A
SCHEMBL27686738 0.63 NOTUM (0.40) MAPT
SCHEMBL14889068 0.63 MAPT (0.39) MAPTLMNATP53

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-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
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