SCHEMBL5806498

SCHEMBL5806498

Cc1ccccc1-c1nc(C)c2c(N)c(OC(N)=O)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ IKBKB O14920 8/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ CHRM4 P08173 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LIMK1 P53667 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHUK O15111 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ PRKACG P22612 1/20 0.36
▸ PRKACB P22694 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ GAA P10253 1/20 0.35

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 0.89 MAPT (0.46) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL5808461 0.86 MAPT (0.57) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL6111195 0.83 IKBKB (0.56) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL5820468 0.81 MAPT (0.45) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL5809220 0.81 KMT2A (0.44) MAPTKMT2AMEN1RAB9AHTT
SCHEMBL5808459 0.80 MEN1 (0.46) MAPTKMT2AMEN1ALDH1A1CHRM4
SCHEMBL5806520 0.79 MAPT (0.45) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL5809588 0.78 MAPT (0.39) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL5808457 0.77 MAPT (0.43) MAPTKMT2AMEN1IKBKBRAB9A
SCHEMBL5816926 0.77 MAPT (0.43) MAPTKMT2AMEN1IKBKBRAB9A

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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