SCHEMBL9256809

SCHEMBL9256809

CSc1cccc(-n2c(-c3ccc(C(=N)N)cc3)nc3cc(C(=O)NCCC(=O)O)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 3/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 3/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
LMNA P02545 1/20 0.40
PTGER4 P35408 1/20 0.39
F2 P00734 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9249697 0.92 KMT2A (0.47) ATMKMT2AMEN1TP53HPGD
SCHEMBL9254349 0.90 ATM (0.58) ATMKMT2AMEN1TP53HPGD
SCHEMBL9251550 0.89 SIRT2 (0.52) ATMKMT2AMEN1TP53HPGD
SCHEMBL9255152 0.86 ATM (0.46) ATMKMT2AMEN1TP53HPGD
SCHEMBL9252712 0.85 ATM (0.45) ATMKMT2AMEN1TP53HPGD
SCHEMBL9255544 0.84 F10 (0.46) ATMKMT2AMEN1TP53HPGD
SCHEMBL9252291 0.83 KMT2A (0.46) ATMKMT2AMEN1TP53MAPT
SCHEMBL9251899 0.82 HPGD (0.49) KMT2AMEN1TP53HPGDMAPT
SCHEMBL9251354 0.82 SIRT2 (0.53) ATMKMT2AMEN1TP53HPGD
SCHEMBL9245997 0.82 ATM (0.57) ATMKMT2AMEN1TP53HPGD

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