SCHEMBL9251899

SCHEMBL9251899

COc1ccc(-n2c(-c3ccc(C(=N)N)cc3)nc3cc(C(=O)NCCC(=O)O)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 5/20 0.46
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
F2 P00734 1/20 0.42

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 0.93 HPGD (0.49) HPGDHSD17B10ALDH1A1MAPK1THRB
SCHEMBL9251550 0.89 SIRT2 (0.52) HPGDHSD17B10MAPTTP53SIRT2
SCHEMBL9252291 0.89 KMT2A (0.46) MAPTPOLBTP53SIRT2SIRT1
SCHEMBL9251354 0.86 SIRT2 (0.53) HPGDHSD17B10MAPTPOLBTP53
SCHEMBL9254349 0.85 ATM (0.58) HPGDMAPTTP53SIRT2SIRT1
SCHEMBL9247672 0.84 KMT2A (0.49) HPGDHSD17B10ALDH1A1MAPK1MAPT
SCHEMBL9255544 0.83 F10 (0.46) HPGDMAPTTP53SIRT2SIRT1
SCHEMBL9249490 0.82 HDAC1 (0.56) F2
SCHEMBL9256809 0.82 ATM (0.47) HPGDMAPTTP53SIRT2SIRT1
SCHEMBL9255152 0.82 ATM (0.46) HPGDMAPTTP53SIRT2SIRT1

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