SCHEMBL9255089

SCHEMBL9255089

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
HPGD P15428 3/20 0.44
NAMPT P43490 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
ATM Q13315 1/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CLK2 P49760 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
TP53 P04637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
PTGER4 P35408 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
SCHEMBL9255544 0.91 F10 (0.46) KMT2AMEN1HPGDNAMPTSIRT2
SCHEMBL9251354 0.91 SIRT2 (0.53) KMT2AMEN1HPGDSIRT2SIRT1
SCHEMBL9245997 0.88 ATM (0.57) KMT2AMEN1HPGDSIRT2SIRT1
SCHEMBL9254808 0.86 HPGD (0.49) KMT2AMEN1HPGDSIRT2SIRT1
SCHEMBL9247672 0.86 KMT2A (0.49) KMT2AMEN1HPGDSIRT2SIRT1
SCHEMBL9249697 0.85 KMT2A (0.47) KMT2AMEN1HPGDSIRT2SIRT1
SCHEMBL9251311 0.85 MEN1 (0.43) KMT2AMEN1NAMPTF10PRSS1
SCHEMBL9248757 0.85 KMT2A (0.47) KMT2AMEN1HPGDNAMPTSIRT2
SCHEMBL8863519 0.84 HDAC1 (0.52) KMT2AHPGDNAMPTTP53TDP1
SCHEMBL9245332 0.84 KMT2A (0.46) KMT2AMEN1HPGDSIRT2SIRT1

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