SCHEMBL7845838

SCHEMBL7845838

c1cnc(-c2ccc3oc4ccccc4c3n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CYP19A1 P11511 1/20 0.42
MAPT P10636 6/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 4/20 0.42
LIMK1 P53667 1/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 3/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
PGAM1 P18669 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
SCHEMBL29986282 0.85 KDM4E (0.48) KMT2AMEN1SMN1; SMN2CYP19A1MAPT
SCHEMBL15696821 0.85 KDM4E (0.48) KMT2AMEN1SMN1; SMN2CYP19A1MAPT
SCHEMBL25461647 0.80 CYP3A4 (0.42) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL25461646 0.80 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL15695186 0.79 CLK4 (0.44) KMT2AMEN1SMN1; SMN2CYP19A1MAPT
SCHEMBL25461649 0.79 CYP1A2 (0.44) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL25461256 0.79 KDM4E (0.45) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL25461655 0.78 MEN1 (0.40) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL25461652 0.78 NCOA1 (0.40) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL19083008 0.78 MEN1 (0.41) KMT2AMEN1SMN1; SMN2MAPTNPC1

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
EP-1136493-A1 2-(Thienopyridinyl)pyrimidone, 2-(furopyridinyl)pyrimidone 2-(isoquinolinyl)pyrimidone, 2-(pyridoindolyl)pyrimidone and 2-(benzofuropyridinyl)pyrimidone derivatives SANOFI-SYNTHELABO (FR) 2001-09-26 EP disclosed