SCHEMBL9251354

SCHEMBL9251354

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.53
SIRT1 Q96EB6 2/20 0.53
KMT2A Q03164 2/20 0.48
TP53 P04637 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
PTGER4 P35408 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9245997 0.92 ATM (0.57) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9254808 0.91 HPGD (0.49) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9247672 0.91 KMT2A (0.49) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9251550 0.91 SIRT2 (0.52) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9255089 0.91 KMT2A (0.45) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9249697 0.89 KMT2A (0.47) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9248757 0.89 KMT2A (0.47) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL9245332 0.88 KMT2A (0.46) SIRT2SIRT1KMT2ATP53HPGD
SCHEMBL8863519 0.86 HDAC1 (0.52) KMT2ATP53HPGDMAPTPTGER4
SCHEMBL9251899 0.86 HPGD (0.49) SIRT2SIRT1KMT2ATP53HPGD

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