SCHEMBL31111402

SCHEMBL31111402

Cc1ccc2c(c1)CNCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CD274 Q9NZQ7 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
RIPK1 Q13546 1/20 0.37
ACHE P22303 1/20 0.37
MMP12 P39900 1/20 0.37
PNMT P11086 1/20 0.36
OXTR P30559 1/20 0.35
ADRA2A P08913 1/20 0.35
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
RAB9A P51151 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8061138 1.00 MAPT (0.54) MAPTALDH1A1GAAHSD17B10CD274
SCHEMBL22131607 0.86 ALDH1A1 (0.50) MAPTALDH1A1GAAHSD17B10CD274
SCHEMBL12434067 0.81 OXTR (0.55) MAPTALDH1A1GAAHSD17B10CD274
SCHEMBL19657715 0.80 S1PR1 (0.38) MAPTALDH1A1GAAHSD17B10CD274
SCHEMBL2060626 0.79 MAPT (0.44) MAPTALDH1A1GAAHSD17B10CD274
SCHEMBL17927769 0.79 FABP6 (0.49) MAPTS1PR1S1PR3RIPK1ACHE
SCHEMBL20565297 0.79 PNMT (0.53) S1PR1S1PR3RIPK1ACHEPNMT
SCHEMBL2983125 0.79 PNMT (0.53) MAPTALDH1A1GAAHSD17B10CD274
SCHEMBL30174754 0.79 PNMT (0.53) S1PR1S1PR3RIPK1ACHEPNMT
SCHEMBL30644265 0.79 PNMT (0.53) MAPTALDH1A1GAAHSD17B10CD274

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-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed