SCHEMBL29923746

SCHEMBL29923746

COc1cc(C(=O)NC(C)C)c2ncccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 4/20 0.52
HTT P42858 1/20 0.52
EGLN1 Q9GZT9 2/20 0.51
KDM4E B2RXH2 2/20 0.50
CASP1 P29466 2/20 0.50
THRB P10828 1/20 0.50
RAD52 P43351 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HSP90AA1 P07900 3/20 0.48

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
SCHEMBL30134451 0.86 KMT2A (0.58) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL11804278 0.82 NSD2 (0.58) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL29923896 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL29923698 0.81 PARP1 (0.58) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL20515224 0.81 PARP1 (0.58) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL8101444 0.80 NPC1 (0.59) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL29923828 0.79 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL29923665 0.78 KMT2A (0.52) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL29923608 0.78 KMT2A (0.50) KMT2AMEN1ALDH1A1HTTEGLN1
SCHEMBL24915856 0.77 JAK2 (0.42) KMT2AALDH1A1EGLN1KDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed