SCHEMBL4411095

SCHEMBL4411095

CCOC(=O)c1oc2c(c1N)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.55
ALDH1A1 P00352 12/20 0.55
HPGD P15428 10/20 0.55
GAA P10253 6/20 0.55
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 1/20 0.50
AHR P35869 1/20 0.48
RAB9A P51151 1/20 0.47
RECQL P46063 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4125207 0.97 KDM4E (0.53) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL4413498 0.95 KDM4E (0.52) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL12057603 0.73 MAPT (0.36) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL28116388 0.73 SMN1; SMN2 (0.73) ALDH1A1HPGDNPC1SMN1; SMN2CYP1A2
SCHEMBL24256901 0.72 KDM4E (0.77) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL5548523 0.68 KDM4E (0.50) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL23530696 0.68 SMN1; SMN2 (0.52) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL23530446 0.68 SMN1; SMN2 (0.52) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL264016 0.67 KDM4E (0.49) KDM4EALDH1A1HPGDGAANPC1
SCHEMBL526385 0.67 BRD4 (0.48) KDM4EALDH1A1HPGDGAANPC1

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-2009056551-A1 FURO[3,2-D]PYRIMIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2009-05-07 WO disclosed