SCHEMBL5820468

SCHEMBL5820468

Cc1nc(-c2ccc3ccccc3c2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ LIMK1 P53667 1/20 0.40
▸ CTRC Q99895 1/20 0.38
▸ IKBKB O14920 3/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ ABCC1 P33527 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ NPC1 O15118 2/20 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
SCHEMBL5808461 0.88 MAPT (0.57) MAPTKMT2AMEN1LIMK1IKBKB
SCHEMBL5806520 0.83 MAPT (0.45) MAPTKMT2AMEN1LIMK1IKBKB
SCHEMBL6112158 0.83 MAPT (0.55) MAPTKMT2AMEN1LIMK1IKBKB
SCHEMBL5808459 0.82 MEN1 (0.46) MAPTKMT2AMEN1KDM4ECHRM4
SCHEMBL2856060 0.82 MAPT (0.42) MAPTKMT2AMEN1LIMK1ABCG2
SCHEMBL5808457 0.81 MAPT (0.43) MAPTKMT2AMEN1IKBKBABCG2
SCHEMBL5816926 0.81 MAPT (0.43) MAPTKMT2AMEN1IKBKBKDM4E
SCHEMBL5806498 0.81 MAPT (0.43) MAPTKMT2AMEN1LIMK1IKBKB
SCHEMBL5806526 0.81 MAPT (0.44) MAPTKMT2AMEN1ABCG2TP53
SCHEMBL5809433 0.80 MEN1 (0.43) MAPTKMT2AMEN1IKBKBALDH1A1

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 claimed
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