SCHEMBL14039723

SCHEMBL14039723

C=C(N)c1cccc2c1cnn2CC(C)(C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE4B Q07343 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP11B2 P19099 1/20 0.34
TP53 P04637 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL12808850 0.87 KMT2A (0.39) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL1398482 0.83 CYP11B2 (0.37) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL1398630 0.79 AR (0.45) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL12809019 0.78 KMT2A (0.37) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL1398658 0.74 CYP11B2 (0.36) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL12809018 0.73 MEN1 (0.39) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL1398522 0.72 MEN1 (0.38) KMT2AMEN1POLBTSHRHSD17B10
SCHEMBL15999091 0.71 KDM4E (0.39) POLBHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL15999082 0.70 CYP11B2 (0.53) KMT2AMEN1TSHRHSD17B10SMN1; SMN2
SCHEMBL1398518 0.70 MAPT (0.39) KMT2AMEN1HSD17B10ALDH1A1KDM4E

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-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed