SCHEMBL3972844

SCHEMBL3972844

NC(=O)C(N)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
POLB P06746 3/20 0.50
ALOX5 P09917 3/20 0.50
PTPN1 P18031 2/20 0.50
PKM P14618 1/20 0.50
PTPN7 P35236 1/20 0.50
BLM P54132 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C19 P33261 2/20 0.49
MEN1 O00255 4/20 0.46
AGTR1 P30556 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MIF P14174 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29950772 0.83 KMT2A (0.61) KMT2APOLBALOX5PTPN1PKM
SCHEMBL2455073 0.83 KMT2A (0.61) KMT2APOLBALOX5PTPN1PKM
SCHEMBL15049401 0.83 KMT2A (0.61) KMT2APOLBALOX5PTPN1PKM
SCHEMBL16204244 0.81 KMT2A (0.50) KMT2APOLBALOX5PTPN1PKM
SCHEMBL1085009 0.78 KMT2A (0.50) KMT2APOLBALOX5PTPN1PKM
SCHEMBL28578684 0.78 POLB (0.65) KMT2APOLBALOX5PTPN1PKM
SCHEMBL3577958 0.77 ALOX5 (0.58) KMT2APOLBALOX5PTPN1PKM
SCHEMBL10338542 0.76 KMT2A (0.48) KMT2APOLBALOX5PTPN1PKM
SCHEMBL28489015 0.76 KMT2A (0.50) KMT2APOLBALOX5PTPN1PKM
SCHEMBL5187859 0.76 ALOX5 (0.45) KMT2APOLBALOX5PTPN1PKM

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
WO-2009050220-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050220-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed