SCHEMBL13195022

SCHEMBL13195022

COc1ccc2c(c1)n(CC1CCC(C(=O)Nc3cccc4cccnc34)CC1)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ WNT3 P56703 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MECP2 P51608 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PIK3CA P42336 4/20 0.44
▸ TNKS O95271 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL11961007 0.92 ALDH1A1 (0.48) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL13195039 0.88 RECQL (0.47) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL13194934 0.82 PIK3CA (0.46) MAPTTSHRPIK3CAPRKDC
SCHEMBL13195114 0.82 MTNR1A (0.53) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL13194941 0.81 PIK3CA (0.51) MEN1KMT2ATP53PIK3CAPRKDC
SCHEMBL13194610 0.81 TNKS (0.46) TP53PIK3CATNKSTNKS2PRKDC
SCHEMBL13195122 0.81 PIK3CA (0.45) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL13194535 0.81 PIK3CA (0.45) LMNAMAPTHPGDTSHRHSD17B10
SCHEMBL11961802 0.81 RECQL (0.46) HTTLMNAMAPTTSHRHSD17B10
SCHEMBL13195017 0.81 MTNR1A (0.50) ALDH1A1HTTMAPTHPGDEPHX2

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-2012136492-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-10-11 — — WO disclosed
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