SCHEMBL28356151

SCHEMBL28356151

CCOC(c1ccccc1)c1cnc(-c2cccc(C)c2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
GLA P06280 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
GFER P55789 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FAAH O00519 1/20 0.38
PLK1 P53350 2/20 0.38
GAA P10253 2/20 0.37
TP53 P04637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL28352526 0.94 PLK1 (0.39) HPGDSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28356556 0.91 HPGD (0.47) HPGDSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28356409 0.88 HPGD (0.42) HPGDSMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL28352337 0.87 HPGD (0.43) HPGDSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28356002 0.85 GABRA2 (0.44) HPGDSMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL28356404 0.85 DCTPP1 (0.41) HPGDSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL28352367 0.83 GLA (0.43) HPGDSMN1; SMN2GLACACNA2D1
SCHEMBL28356143 0.83 CACNA2D1 (0.41) HPGDSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL28352426 0.82 VCP (0.39) HPGDSMN1; SMN2MAPK1MAPTALDH1A1
SCHEMBL28355861 0.81 TSHR (0.40) HPGDSMN1; SMN2MAPK1MAPTGAA

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
CN-107162982-B Imidazole compounds with anticancer activity and derivatives thereof 广东药科大学 2020-02-11 CN disclosed