SCHEMBL20652671

SCHEMBL20652671

OC(O)CCc1ccc2c(c1)[nH]c1ccncc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.51
▸ KIF11 P52732 3/20 0.49
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ GABRB3 P28472 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
SCHEMBL14133169 0.81 KIF11 (0.56) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL14053792 0.81 KIF11 (0.56) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL23391734 0.80 TBXAS1 (0.52) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL31104422 0.80 TBXAS1 (0.52) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL14053477 0.79 KIF11 (0.54) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL14133908 0.79 KIF11 (0.54) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL20652942 0.78 KDM4E (0.50) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL23418021 0.78 ROCK2 (0.48) ACHEKIF11MAPTKDM4EALDH1A1
SCHEMBL14133180 0.76 KIF11 (0.47) ACHEKIF11MAPTCHUKPARP1
SCHEMBL20652663 0.76 ROCK2 (0.50) ACHEKIF11MAPTPARP1ROCK2

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-2019014429-A1 COMPOUNDS FOR TAU PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 — — WO disclosed
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