SCHEMBL3972212

SCHEMBL3972212

Cc1cc(N)c2cnn(-c3ccc(C(=O)O)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PLA2G10 O15496 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
NR3C1 P04150 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.41
RORC P51449 1/20 0.40
PTGS2 P35354 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL1776385 0.87 MAPT (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL304081 0.83 RAB9A (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4008059 0.81 TDP1 (0.56) SMN1; SMN2RAB9AKMT2AMAPTLMNA
SCHEMBL476841 0.81 NR3C1 (0.47) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL1775488 0.77 NR3C1 (0.48) RAB9AMEN1KMT2AMAPTTP53
SCHEMBL9609077 0.77 NR3C1 (0.46) NPC1RAB9AMEN1KMT2ANR3C1
SCHEMBL13884763 0.74 NR3C1 (0.44) NPC1RAB9AMEN1KMT2ANR3C1
SCHEMBL1255967 0.74 NOTUM (0.48) SMN1; SMN2LMNANR3C1HTTTSHR
SCHEMBL1773970 0.73 NR3C1 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL303719 0.73 TDP1 (0.45) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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
WO-2009050243-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed