SCHEMBL13574158

SCHEMBL13574158

C=C(NCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ TNKS O95271 3/20 0.50
▸ TNKS2 Q9H2K2 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 4/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.44
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL12549503 0.93 TNKS (0.59) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL15462269 0.79 TNKS (0.61) HPGDPOLBALDH1A1TNKSTNKS2
SCHEMBL16010683 0.70 KDM4E (0.52) HPGDPOLBALDH1A1TNKSTNKS2
SCHEMBL3869028 0.69 TNKS (0.67) HPGDPOLBTNKSTNKS2KDM4E
SCHEMBL12549629 0.67 TNKS (1.00) HPGDPOLBALDH1A1TNKSTNKS2
SCHEMBL6520182 0.64 POLB (0.69) HPGDPOLBTNKSTNKS2KDM4E
SCHEMBL21457876 0.64 PKM (0.56) HPGDPOLBALDH1A1KDM4ELMNA
SCHEMBL12791230 0.63 LMNA (0.72) HPGDPOLBTNKSTNKS2KDM4E
SCHEMBL16092741 0.62 PGR (0.55) ALDH1A1TSHRTNKSTNKS2KDM4E
SCHEMBL13574150 0.62 KDM4E (0.49) HPGDPOLBALDH1A1KDM4EMEN1

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-2009155001-A2 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-12-23 — — WO disclosed
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