SCHEMBL9245997

SCHEMBL9245997

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2-c1cccc(C)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
TP53 P04637 3/20 0.54
MAPT P10636 1/20 0.51
KMT2A Q03164 3/20 0.50
HPGD P15428 4/20 0.49
MEN1 O00255 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
PTGER4 P35408 1/20 0.41

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
SCHEMBL9251354 0.92 SIRT2 (0.53) ATMTP53MAPTKMT2AHPGD
SCHEMBL9254349 0.91 ATM (0.58) ATMTP53MAPTKMT2AHPGD
SCHEMBL9249697 0.90 KMT2A (0.47) ATMTP53MAPTKMT2AHPGD
SCHEMBL9248757 0.90 KMT2A (0.47) ATMTP53MAPTKMT2AHPGD
SCHEMBL9245332 0.89 KMT2A (0.46) ATMTP53MAPTKMT2AHPGD
SCHEMBL9255089 0.88 KMT2A (0.45) ATMTP53MAPTKMT2AHPGD
SCHEMBL9247672 0.87 KMT2A (0.49) ATMTP53MAPTKMT2AHPGD
SCHEMBL9254808 0.87 HPGD (0.49) TP53MAPTKMT2AHPGDMEN1
SCHEMBL8863519 0.84 HDAC1 (0.52) TP53MAPTKMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL9255053 0.83 HDAC1 (0.51) TP53MAPTKMT2AHPGDLMNA

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