SCHEMBL5805727

SCHEMBL5805727

CSc1nc(-c2ccccc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ LIMK1 P53667 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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 0.86 MAPT (0.57) MEN1KMT2AMAPTKDM4ELIMK1
SCHEMBL5808462 0.80 MAPT (0.39) MEN1KMT2AMAPTKDM4ELIMK1
SCHEMBL31156481 0.76 KDM4E (0.64) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL31156511 0.76 KDM4E (0.64) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL5729872 0.76 MEN1 (0.67) MEN1KMT2AMAPTKDM4ELIMK1
SCHEMBL5730603 0.76 LIMK1 (0.61) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL5731488 0.75 IKBKB (0.69) MEN1KMT2AMAPTKDM4ELIMK1
SCHEMBL5808459 0.75 MEN1 (0.46) MEN1KMT2AMAPTKDM4ETP53
SCHEMBL5806520 0.74 MAPT (0.45) MEN1KMT2AMAPTKDM4ELIMK1
SCHEMBL5820468 0.74 MAPT (0.45) MEN1KMT2AMAPTKDM4ELIMK1

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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