SCHEMBL4604844

SCHEMBL4604844

CCOC(=O)c1n[nH]c2ccc(C(Br)OCC[Si](C)(C)C)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.39
GSK3B P49841 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL16534080 0.89 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1GSK3BLMNA
SCHEMBL5555427 0.87 PRKAG1 (0.46) KDM4ESMN1; SMN2GSK3BWNT1DYRK1A
SCHEMBL4604232 0.80 KDM4E (0.52) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL1636035 0.75 KDM4E (0.66) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4101185 0.73 KDM4E (0.68) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5555429 0.72 DYRK1A (0.36) KDM4ESMN1; SMN2GSK3BWNT1DYRK1A
SCHEMBL5922444 0.72 KDM4E (0.66) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL960087 0.72 KDM4E (0.66) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL31507475 0.71 KDM4E (0.64) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL493081 0.71 KDM4E (0.64) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1

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-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed