SCHEMBL5804110

SCHEMBL5804110

O=[C]CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.74
▸ MAPT P10636 4/20 0.65
▸ NPSR1 Q6W5P4 3/20 0.61
▸ RECQL P46063 1/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ TP53 P04637 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ HSD17B10 Q99714 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ GAA P10253 2/20 0.57
▸ POLB P06746 1/20 0.55

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
SCHEMBL5805462 0.98 KDM4E (0.71) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL13407754 0.89 KDM4E (0.70) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL15722389 0.84 KDM4E (0.73) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL13407753 0.81 MAPT (0.78) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL15506196 0.81 KDM4E (0.68) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL13407750 0.79 MAPT (0.75) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL20228785 0.79 ALDH1A1 (0.68) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL12281814 0.78 ALDH1A1 (0.71) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL21528235 0.78 KDM4E (0.64) KDM4EMAPTNPSR1RECQLALDH1A1
SCHEMBL19079839 0.77 KDM4E (0.73) KDM4EMAPTNPSR1RECQLALDH1A1

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
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