SCHEMBL28570867

SCHEMBL28570867

CC(C#N)CCOc1ccc(-c2nccc(C(=O)O)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 12/20 0.59
MAPK1 P28482 1/20 0.44
RARB P10826 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL28574650 0.83 XDH (0.52) XDHRARBKDM4EALDH1A1SMN1; SMN2
SCHEMBL28589918 0.81 XDH (0.56) XDHMAPK1RARBKDM4EALDH1A1
SCHEMBL28587007 0.80 NPC1 (0.68) XDHMAPK1RARBKDM4EALDH1A1
SCHEMBL28570870 0.80 XDH (0.54) XDHKDM4EALDH1A1
SCHEMBL28569175 0.80 XDH (0.55) XDHSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL28579819 0.78 XDH (0.55) XDHKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL28579822 0.78 XDH (0.53) XDHKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL28914640 0.74 XDH (0.47) XDHKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL28583439 0.71 XDH (0.61) XDH
SCHEMBL34461785 0.70 XDH (0.56) XDHKDM4EALDH1A1SMN1; SMN2NPC1

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
CN-112979559-A 2-phenyl pyrimidine formic acid derivative and preparation method and application thereof 沈阳药科大学 2021-06-18 CN claimed
CN-112979559-A 2-phenyl pyrimidine formic acid derivative and preparation method and application thereof 沈阳药科大学 2021-06-18 CN disclosed