SCHEMBL5808461

SCHEMBL5808461

Cc1nc(-c2ccccc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KDM4E B2RXH2 8/20 0.44
▸ IKBKB O14920 1/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ CHRM4 P08173 3/20 0.42
▸ LIMK1 P53667 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39

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
SCHEMBL5808459 0.89 MEN1 (0.46) MAPTKMT2AMEN1KDM4ETP53
SCHEMBL5806520 0.88 MAPT (0.45) MAPTKMT2AMEN1KDM4EIKBKB
SCHEMBL5820468 0.88 MAPT (0.45) MAPTKMT2AMEN1KDM4EIKBKB
SCHEMBL5808457 0.86 MAPT (0.43) MAPTKMT2AMEN1KDM4EIKBKB
SCHEMBL5816926 0.86 MAPT (0.43) MAPTKMT2AMEN1KDM4EIKBKB
SCHEMBL5805727 0.86 TSHR (0.47) MAPTKMT2AMEN1KDM4EIKBKB
SCHEMBL5806498 0.86 MAPT (0.43) MAPTKMT2AMEN1KDM4EIKBKB
SCHEMBL5809433 0.85 MEN1 (0.43) MAPTKMT2AMEN1IKBKBALDH1A1
SCHEMBL2856060 0.84 MAPT (0.42) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL5805681 0.84 MAPT (0.46) MAPTKMT2AMEN1KDM4EIKBKB

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
Send feedback