SCHEMBL9255544

SCHEMBL9255544

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2-c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
NAMPT P43490 3/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
ATM Q13315 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GCGR P47871 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39

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 0.91 SIRT2 (0.52) F10KMT2AMEN1SIRT2SIRT1
SCHEMBL9255089 0.91 KMT2A (0.45) F10PRSS1NAMPTKMT2AMEN1
SCHEMBL9254349 0.87 ATM (0.58) KMT2AMEN1SIRT2SIRT1ATM
SCHEMBL9252291 0.85 KMT2A (0.46) KMT2AMEN1SIRT2SIRT1ATM
SCHEMBL9251963 0.85 ITGB3 (0.46) F10PRSS1NAMPTKMT2AMEN1
SCHEMBL9256809 0.84 ATM (0.47) KMT2AMEN1SIRT2SIRT1ATM
Bromide SCHEMBL9251333 0.84 ITGB3 (0.45) F10PRSS1NAMPTKMT2AMEN1
SCHEMBL9255152 0.83 ATM (0.46) NAMPTKMT2AMEN1SIRT2SIRT1
SCHEMBL9251899 0.83 HPGD (0.49) KMT2AMEN1SIRT2SIRT1TP53
SCHEMBL9252712 0.83 ATM (0.45) KMT2AMEN1SIRT2SIRT1ATM

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