SCHEMBL6438210

SCHEMBL6438210

C=CC(O)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.47
▸ PLAU P00749 2/20 0.41
▸ FDPS P14324 1/20 0.40
▸ NOTUM Q6P988 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ COMT P21964 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ PLG P00747 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CTSA P10619 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CDC7 O00311 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
SCHEMBL1525815 0.78 SLC6A2 (0.45) —
SCHEMBL29724050 0.78 SLC6A2 (0.45) —
SCHEMBL8754632 0.78 L3MBTL1 (0.39) EGFRNOTUMMGLLCYP17A1
SCHEMBL3714790 0.73 PLAU (0.41) EGFRPLAUFDPSNOTUMF11
SCHEMBL30559520 0.73 PLAU (0.43) EGFRPLAUFDPSNOTUMPIK3CA
SCHEMBL28323532 0.73 EGFR (0.49) EGFRPLAUFDPSNOTUMPIK3CA
SCHEMBL2737364 0.73 PLAU (0.43) EGFRPLAUFDPSNOTUMF11
SCHEMBL27349333 0.72 PTGS2 (0.43) EGFRCOMTMGLLPTGS2CTSA
SCHEMBL12915284 0.70 PLAU (0.41) EGFRPLAUFDPSNOTUMF11
SCHEMBL22166443 0.69 PLAU (0.40) PLAUFDPSNOTUMF11PIK3CA

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
WO-2005024058-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES INVOLVING COGNITIVE IMPAIRMENT, SUCH AS ALZHEIMER’S DISEASE, AND METHODS FOR IDENTIFYING SUCH COMPOUNDS GALAPAGOS N.V. (BE) 2005-03-17 — — WO claimed
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