SCHEMBL29923896

SCHEMBL29923896

COCCNC(=O)c1cc(OC)cc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
EGLN1 Q9GZT9 4/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.52
AURKA O14965 2/20 0.52
MET P08581 2/20 0.52
KDR P35968 2/20 0.52
TEK Q02763 2/20 0.52
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LCK P06239 1/20 0.48
LYN P07948 1/20 0.48
FLT1 P17948 1/20 0.48
AURKB Q96GD4 1/20 0.48
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL29923828 0.88 ALDH1A1 (0.53) ALDH1A1EGLN1KMT2AMEN1HDAC1
SCHEMBL30134451 0.83 KMT2A (0.58) ALDH1A1EGLN1KMT2AMEN1POLB
SCHEMBL22750329 0.83 MEN1 (0.60) ALDH1A1EGLN1KMT2AMEN1POLB
SCHEMBL29923746 0.81 KMT2A (0.56) ALDH1A1EGLN1KMT2AMEN1HDAC1
SCHEMBL29923608 0.80 KMT2A (0.50) ALDH1A1EGLN1KMT2AMEN1AURKA
SCHEMBL11804278 0.79 NSD2 (0.58) ALDH1A1EGLN1KMT2AMEN1HDAC1
SCHEMBL29923698 0.78 PARP1 (0.58) ALDH1A1EGLN1KMT2AMEN1HDAC1
SCHEMBL20515224 0.78 PARP1 (0.58) ALDH1A1EGLN1KMT2AMEN1HDAC1
SCHEMBL24915850 0.77 KDM4E (0.47) ALDH1A1EGLN1KMT2AMEN1AURKA
SCHEMBL29923665 0.76 KMT2A (0.52) ALDH1A1EGLN1KMT2AMEN1POLB

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