SCHEMBL5809220

SCHEMBL5809220

Cc1nc(-c2c(F)cccc2F)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CHRM4 P08173 8/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL5805681 0.88 MAPT (0.46) KMT2AMAPTMEN1CHRM4KDM4E
SCHEMBL5808461 0.82 MAPT (0.57) KMT2AMAPTMEN1CHRM4KDM4E
SCHEMBL5806498 0.81 MAPT (0.43) KMT2AMAPTMEN1CHRM4KDM4E
SCHEMBL5809588 0.80 MAPT (0.39) KMT2AMAPTMEN1CHRM4PIM1
SCHEMBL5808459 0.79 MEN1 (0.46) KMT2AMAPTMEN1CHRM4KDM4E
SCHEMBL5806520 0.78 MAPT (0.45) KMT2AMAPTMEN1CHRM4KDM4E
SCHEMBL5809433 0.78 MEN1 (0.43) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL5820468 0.78 MAPT (0.45) KMT2AMAPTMEN1CHRM4KDM4E
SCHEMBL5808457 0.76 MAPT (0.43) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL5816926 0.76 MAPT (0.43) KMT2AMAPTMEN1KDM4EALDH1A1

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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