SCHEMBL541068

SCHEMBL541068

Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CCCC4)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.73
▸ MEN1 O00255 3/20 0.73
▸ TP53 P04637 2/20 0.73
▸ MAPT P10636 3/20 0.70
▸ ALDH1A1 P00352 4/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ HTT P42858 2/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ EGFR P00533 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ BRD3 Q15059 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ TGM2 P21980 1/20 0.59
▸ CTDSP1 Q9GZU7 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ BLM P54132 1/20 0.58

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
SCHEMBL12857883 0.85 KMT2A (0.74) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL10144823 0.79 KDM4E (0.69) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL3913381 0.78 ALDH1A1 (0.71) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL9972172 0.78 MAPT (0.76) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL13407750 0.78 MAPT (0.75) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL9972173 0.76 MAPT (0.72) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL19079839 0.74 KDM4E (0.73) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL20228786 0.74 KMT2A (1.00) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL6037625 0.74 TGM2 (1.00) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL20228784 0.73 KMT2A (0.85) KMT2AMEN1TP53MAPTALDH1A1

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
EP-2413696-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE Mount Sinai School Of Medicine Of New York University (US) 2012-02-08 — — EP disclosed
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 — — WO disclosed
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