SCHEMBL6131697

SCHEMBL6131697

CCc1n[nH]c2cccc(C(=O)OC)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
RIPK1 Q13546 1/20 0.43
NR4A2 P43354 2/20 0.43
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41

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
SCHEMBL1394029 0.81 MAPT (0.49) KDM4ESTAT3HIF1ARIPK1NR4A2
SCHEMBL1135530 0.79 KDM4E (0.48) KDM4ESTAT3HIF1ARIPK1NR4A2
SCHEMBL22996547 0.79 GAA (0.50) KDM4ESTAT3HIF1ANR4A2TSHR
SCHEMBL19208648 0.79 KDM4E (0.48) KDM4ESTAT3HIF1ARIPK1NR4A2
SCHEMBL30424394 0.79 KDM4E (0.48) KDM4ESTAT3HIF1ARIPK1NR4A2
SCHEMBL700007 0.78 KDM4E (0.47) KDM4ESTAT3HIF1ARIPK1NR4A2
SCHEMBL28791345 0.75 KDM4E (0.43) KDM4ESTAT3HIF1ARIPK1NR4A2
SCHEMBL1080836 0.75 KDM4E (0.37) KDM4ESTAT3HIF1ALMNAALDH1A1
SCHEMBL2899661 0.75 KDM4E (0.38) KDM4EHIF1AGABRA1GABRB2LMNA
SCHEMBL1672317 0.74 KDM4E (0.49) KDM4ESTAT3HIF1ARIPK1LMNA

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
EP-1534286-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2005-06-01 EP disclosed
WO-2004014382-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS (US) 2004-02-19 WO disclosed