SCHEMBL5806520

SCHEMBL5806520

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PIM1 P11309 1/20 0.40
▸ TP53 P04637 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CHRM4 P08173 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TEK Q02763 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
SCHEMBL5808461 0.88 MAPT (0.57) MAPTMEN1KMT2ATP53NPC1
SCHEMBL5808459 0.87 MEN1 (0.46) MAPTMEN1KMT2ATP53CHRM4
SCHEMBL5808457 0.86 MAPT (0.43) MAPTMEN1KMT2APIM1TP53
SCHEMBL5816926 0.86 MAPT (0.43) MAPTMEN1KMT2ATP53NPC1
SCHEMBL5809433 0.85 MEN1 (0.43) MAPTMEN1KMT2ASMN1; SMN2IKBKB
SCHEMBL2856060 0.84 MAPT (0.42) MAPTMEN1KMT2ATP53RAB9A
SCHEMBL5806526 0.84 MAPT (0.44) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5820468 0.83 MAPT (0.45) MAPTMEN1KMT2APIM1TP53
SCHEMBL5809588 0.83 MAPT (0.39) MAPTMEN1KMT2APIM1TP53
SCHEMBL6109707 0.82 MAPT (0.56) MAPTMEN1KMT2APIM1TP53

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 2 patents. 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
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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