SCHEMBL9251550

SCHEMBL9251550

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
PTGER4 P35408 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
F10 P00742 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 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
SCHEMBL9254349 0.92 ATM (0.58) SIRT2SIRT1TP53MAPTPTGER4
SCHEMBL9252291 0.92 KMT2A (0.46) SIRT2SIRT1TP53MAPTATM
SCHEMBL9255544 0.91 F10 (0.46) SIRT2SIRT1TP53MAPTATM
SCHEMBL9251354 0.91 SIRT2 (0.53) SIRT2SIRT1TP53MAPTPTGER4
SCHEMBL9251899 0.89 HPGD (0.49) SIRT2SIRT1TP53MAPTKMT2A
SCHEMBL9256809 0.89 ATM (0.47) SIRT2SIRT1TP53MAPTPTGER4
SCHEMBL9255152 0.88 ATM (0.46) SIRT2SIRT1TP53MAPTPTGER4
SCHEMBL9252712 0.87 ATM (0.45) SIRT2SIRT1TP53MAPTPTGER4
SCHEMBL9249490 0.85 HDAC1 (0.56) PTGER4F10HDAC1HDAC8HDAC6
SCHEMBL9256074 0.85 ITGB3 (0.54) PTGER4F10ITGB3ITGA2BJAK2

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed