SCHEMBL9252291

SCHEMBL9252291

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 4/20 0.44
GCGR P47871 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
RIPK2 O43353 1/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
GCG P01275 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PTGS2 P35354 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
SCHEMBL9251550 0.92 SIRT2 (0.52) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9247672 0.90 KMT2A (0.49) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9251899 0.89 HPGD (0.49) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9254349 0.86 ATM (0.58) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9255544 0.85 F10 (0.46) KMT2AMEN1MAPTTP53GCGR
SCHEMBL9251354 0.83 SIRT2 (0.53) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9256809 0.83 ATM (0.47) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9249490 0.83 HDAC1 (0.56) ITGB3ITGA2B
SCHEMBL9255152 0.82 ATM (0.46) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9255433 0.82 JAK2 (0.50) RIPK2ITGB3ITGA2B

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