SCHEMBL9249697

SCHEMBL9249697

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
HPGD P15428 4/20 0.47
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 3/20 0.44
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
PTGER4 P35408 1/20 0.38
CRBN Q96SW2 1/20 0.37

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
SCHEMBL9256809 0.92 ATM (0.47) KMT2AHPGDATMMEN1TP53
SCHEMBL9245997 0.90 ATM (0.57) KMT2AHPGDATMMEN1TP53
SCHEMBL9251354 0.89 SIRT2 (0.53) KMT2AHPGDATMMEN1TP53
SCHEMBL9248757 0.87 KMT2A (0.47) KMT2AHPGDATMMEN1TP53
SCHEMBL9245332 0.86 KMT2A (0.46) KMT2AHPGDATMMEN1TP53
SCHEMBL9255089 0.85 KMT2A (0.45) KMT2AHPGDATMMEN1TP53
SCHEMBL9247672 0.84 KMT2A (0.49) KMT2AHPGDATMMEN1TP53
SCHEMBL9254808 0.84 HPGD (0.49) KMT2AHPGDMEN1TP53SIRT2
SCHEMBL9254349 0.82 ATM (0.58) KMT2AHPGDATMMEN1TP53
SCHEMBL8863519 0.81 HDAC1 (0.52) KMT2AHPGDTP53MAPTTDP1

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