SCHEMBL13195017

SCHEMBL13195017

COc1ccc(NC(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OC)cc43)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.50
▸ MTNR1B P49286 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PIK3CA P42336 4/20 0.45
▸ PRKDC P78527 3/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ MAPT P10636 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
SCHEMBL13194610 0.92 TNKS (0.46) MTNR1AMTNR1BTP53PIK3CAPRKDC
SCHEMBL13195113 0.92 TP53 (0.56) MTNR1AMTNR1BSMN1; SMN2TP53ALDH1A1
SCHEMBL13195114 0.91 MTNR1A (0.53) MTNR1AMTNR1BTP53ALDH1A1MAPT
SCHEMBL13194513 0.88 PIK3CA (0.47) MTNR1AMTNR1BPIK3CAPRKDC
SCHEMBL13195116 0.88 RAB9A (0.52) SMN1; SMN2TP53HTTALDH1A1HPGD
SCHEMBL13195118 0.87 TDP1 (0.42) MTNR1AMTNR1BSMN1; SMN2TP53HTT
SCHEMBL13195122 0.87 PIK3CA (0.45) MTNR1AMTNR1BSMN1; SMN2HPGDPIK3CA
SCHEMBL13194535 0.87 PIK3CA (0.45) MTNR1AMTNR1BSMN1; SMN2HPGDPIK3CA
SCHEMBL15399322 0.86 F10 (0.54) —
SCHEMBL13194534 0.86 F10 (0.54) —

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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