SCHEMBL2015530

SCHEMBL2015530

COc1cc(C(=O)O)c2nc(C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 1/20 0.49
NFKBIA P25963 2/20 0.47
CDC25B P30305 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
PARP1 P09874 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 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
SCHEMBL29923911 0.79 NFKBIA (0.49) KDM4EALDH1A1POLBNFKBIASMN1; SMN2
SCHEMBL28172844 0.79 PARP1 (0.46) KDM4EALDH1A1SMN1; SMN2PARP1NPC1
SCHEMBL17035383 0.78 ACLY (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2PARP1
SCHEMBL23858522 0.77 KDM4E (0.62) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL30251494 0.77 KDM4E (0.62) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL11804278 0.77 NSD2 (0.58) ALDH1A1CDC25BNPC1RAB9ATDP1
SCHEMBL28529190 0.76 NFKBIA (0.50) NFKBIANPC1RAB9ALMNAMAPT
SCHEMBL29923237 0.75 PARP1 (0.43) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL21723279 0.75 KDM4E (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL441572 0.73 NFKBIA (0.52) KDM4EALDH1A1POLBNFKBIASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed