SCHEMBL5808457

SCHEMBL5808457

CCc1ccc(-c2nc(C)c3c(N)c(OC(N)=O)sc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ ABCG2 Q9UNQ0 3/20 0.37
▸ PIM1 P11309 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ GLA P06280 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 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
SCHEMBL5806520 0.86 MAPT (0.45) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5808461 0.86 MAPT (0.57) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5808459 0.85 MEN1 (0.46) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL5816926 0.84 MAPT (0.43) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5806526 0.84 MAPT (0.44) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5809433 0.83 MEN1 (0.43) MAPTMEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL2856060 0.83 MAPT (0.42) MAPTMEN1KMT2ATP53RAB9A
SCHEMBL5820468 0.81 MAPT (0.45) MAPTMEN1KMT2ATP53RAB9A
SCHEMBL5806498 0.77 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5732237 0.77 KMT2A (0.49) MAPTMEN1KMT2ASMN1; SMN2KDM4E

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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