SCHEMBL6016148

SCHEMBL6016148

CCOC(=O)CCc1n[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
GSK3B P49841 1/20 0.40
DGAT1 O75907 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 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
SCHEMBL6016621 0.91 MAPT (0.47) MAPTKDM4EPOLBKMT2AALDH1A1
SCHEMBL21768226 0.81 KDM4E (0.52) MAPTKDM4EPOLBKMT2AALDH1A1
SCHEMBL2418244 0.81 TNF (0.44) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL11412098 0.79 CNR2 (0.48) MAPTKDM4EPOLBKMT2AALDH1A1
SCHEMBL13122708 0.79 MAPT (0.50) MAPTKDM4EPOLBKMT2AALDH1A1
SCHEMBL6016433 0.79 SMN1; SMN2 (0.49) MAPTPOLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL15229763 0.78 KDM4E (0.58) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL31133377 0.78 KDM4E (0.58) MAPTKDM4EPOLBALDH1A1RAB9A
SCHEMBL1489156 0.76 MAPT (0.47) MAPTPOLBKMT2ALMNACYP1A2
SCHEMBL28307941 0.75 KDM4E (0.68) MAPTKDM4EPOLBKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed