SCHEMBL28627248

SCHEMBL28627248

COc1ccc(-c2cnn(C)c2-c2cc(OC)c(OC)c(OC)c2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL28117777 0.86 MAPT (0.42) L3MBTL1MAPTALDH1A1MAPK1FYN
SCHEMBL28618231 0.79 CYP1A1 (0.49) FYN
SCHEMBL28616870 0.77 TUBB4A (0.57) MAPTALDH1A1FYN
SCHEMBL28629272 0.75 KDM1A (0.44) MAPTALDH1A1MAPK1
SCHEMBL14678441 0.75 PDE2A (0.47) PDE2AL3MBTL1MAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL15517758 0.74 PDE2A (0.46) PDE2AL3MBTL1MAPTALDH1A1MAPK1
SCHEMBL1168130 0.74 BRD4 (0.46) MAPTALDH1A1MAPK1FYNPDGFRB
SCHEMBL618366 0.74 PTGS2 (0.48) ALDH1A1FYNPDGFRBPDGFRAPTGS2
SCHEMBL28618235 0.73 TGFBR1 (0.39) PDE2A
SCHEMBL28233683 0.73 HTR2A (0.43) L3MBTL1ALDH1A1FYN

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-108409663-B Microtubule inhibitors, methods of preparation and uses thereof 成都威斯克生物医药有限公司 2021-09-03 — — CN disclosed
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