SCHEMBL13574150

SCHEMBL13574150

C=C(NC1CCCC1)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TP53 P04637 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL12549643 0.91 TP53 (0.59) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL16010683 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL14960024 0.74 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12571746 0.73 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL15462269 0.72 TNKS (0.61) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL12549588 0.72 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13091023 0.66 MAPT (0.64) ALDH1A1HPGDTP53POLB
SCHEMBL20989088 0.65 ALDH1A1 (0.65) ALDH1A1TP53POLBHDAC1HDAC11
SCHEMBL13574158 0.62 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL24247606 0.62 HDAC6 (0.54) HDAC1HDAC11HDAC8HDAC6

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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