SCHEMBL9247672

SCHEMBL9247672

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.46
RIPK2 O43353 1/20 0.46
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 4/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CLK2 P49760 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
SCHEMBL9254808 0.91 HPGD (0.49) KMT2AMEN1MAPTPOLBTP53
SCHEMBL9251354 0.91 SIRT2 (0.53) KMT2AMEN1MAPTPOLBTP53
SCHEMBL9252291 0.90 KMT2A (0.46) KMT2AMEN1RIPK2MAPTPOLB
SCHEMBL9245997 0.87 ATM (0.57) KMT2AMEN1MAPTTP53SIRT2
SCHEMBL9255089 0.86 KMT2A (0.45) KMT2AMEN1MAPTPOLBTP53
SCHEMBL8863519 0.85 HDAC1 (0.52) KMT2ARIPK2MAPTTP53HPGD
SCHEMBL9251899 0.84 HPGD (0.49) KMT2AMEN1MAPTPOLBTP53
SCHEMBL9249697 0.84 KMT2A (0.47) KMT2AMEN1MAPTPOLBTP53
Hydrochloric Acid SCHEMBL9255053 0.84 HDAC1 (0.51) KMT2ARIPK2MAPTTP53HPGD
SCHEMBL9248757 0.84 KMT2A (0.47) KMT2AMEN1MAPTPOLBTP53

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