SCHEMBL5805681

SCHEMBL5805681

Cc1nc(-c2ccccc2F)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.37
▸ CHRM4 P08173 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ DHPS P49366 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LIMK1 P53667 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
SCHEMBL5806498 0.89 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5809220 0.88 KMT2A (0.44) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5809588 0.85 MAPT (0.39) MAPTKMT2AMEN1CHRM4RAB9A
SCHEMBL5808461 0.84 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL6110060 0.83 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5820468 0.79 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5808459 0.78 MEN1 (0.46) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5806520 0.77 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5808457 0.76 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5816926 0.76 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E

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-2006100095-A1 SUBSTITUTED CARBOXAMIDES METHOD FOR PRODUCTION AND USE THEREOF AS TNF-ALPHA RELEASE INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-09-28 — — WO disclosed
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