SCHEMBL4602566

SCHEMBL4602566

CCOC(=O)c1n[nH]c2cc(C(O)OCCOC)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
POLB P06746 1/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
USP2 O75604 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 3/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL4604232 0.88 KDM4E (0.52) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL12090413 0.76 KDM4E (0.69) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL492550 0.75 KDM4E (0.64) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL13337410 0.75 KDM4E (0.68) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL177200 0.75 KDM4E (0.68) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL4604266 0.74 PRKAG1 (0.44) KDM4ESMN1; SMN2MAPK1
SCHEMBL20248058 0.74 KDM4E (0.66) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL20895120 0.74 KDM4E (0.66) KDM4EPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL10262737 0.74 KDM4E (0.66) KDM4EPOLB
SCHEMBL492203 0.74 KDM4E (0.66) KDM4EPOLBRAB9ANPC1SMN1; SMN2

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