SCHEMBL5816926

SCHEMBL5816926

Cc1nc(-c2ccc(C(C)(C)C)cc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ IKBKB O14920 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ COPS5 Q92905 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL5808461 0.86 MAPT (0.57) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL5808459 0.85 MEN1 (0.46) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL5808457 0.84 MAPT (0.43) MAPTMEN1KMT2ARAB9AIKBKB
SCHEMBL5806526 0.84 MAPT (0.44) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL6110367 0.83 MAPT (0.54) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL2856060 0.83 MAPT (0.42) MAPTMEN1KMT2ARAB9ATP53
SCHEMBL5820468 0.81 MAPT (0.45) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL5732817 0.78 FOXM1 (0.49) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5806498 0.77 MAPT (0.43) MAPTMEN1KMT2ARAB9ANPC1

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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