SCHEMBL23997451

SCHEMBL23997451

CNc1cc(Cl)ccc1N(C=O)Cc1ccc(Cc2nnco2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.30
▸ PTGER1 P34995 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL23997348 0.78 PTGER1 (0.31) PTGER1
SCHEMBL30578709 0.71 KMT2A (0.44) NOTUMMAPT
Ethoxycarbonyl Group SCHEMBL29082342 0.70 KMT2A (0.36) LMNAMAPT
SCHEMBL29291077 0.69 ALOX12 (0.40) NOTUMPTGER1LMNAMAPT
SCHEMBL23997423 0.65 MAPT (0.35) NOTUMMAPT
SCHEMBL23997484 0.64 MAPT (0.61) LMNAMAPT
SCHEMBL2096052 0.61 SIGMAR1 (0.41) LMNA
SCHEMBL29291073 0.61 LMNA (0.40) NOTUMPTGER1LMNAMAPT
Ethoxycarbonyl Group SCHEMBL27606185 0.61 NPSR1 (0.38) NOTUMLMNAMAPT
Ethoxycarbonyl Group SCHEMBL28264125 0.60 SMN1; SMN2 (0.35) NOTUMLMNAMAPT

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
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 — — WO disclosed
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