SCHEMBL20652589

SCHEMBL20652589

C=C(C)NC(=O)CCc1ccc2c(c1)[nH]c1ccncc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.47
▸ NPY5R Q15761 1/20 0.43
▸ KIF11 P52732 1/20 0.41
▸ ACHE P22303 4/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ TBXAS1 P24557 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ BRAF P15056 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL20652663 0.86 ROCK2 (0.50) ROCK2NPY5RKIF11ACHECCKBR
SCHEMBL20652707 0.84 ROCK2 (0.48) ROCK2NPY5RKIF11ACHECCKBR
SCHEMBL23418021 0.84 ROCK2 (0.48) ROCK2NPY5RKIF11ACHECCKBR
SCHEMBL20652858 0.83 ROCK2 (0.48) ROCK2NPY5RKIF11ACHECCKBR
SCHEMBL23391734 0.81 TBXAS1 (0.52) ROCK2NPY5RKIF11ACHETBXAS1
SCHEMBL31104422 0.81 TBXAS1 (0.52) ROCK2NPY5RKIF11ACHETBXAS1
SCHEMBL23418227 0.81 ROCK2 (0.46) ROCK2NPY5RKIF11ACHECCKBR
SCHEMBL23418272 0.81 ROCK2 (0.46) ROCK2NPY5RKIF11ACHECCKBR
SCHEMBL20652942 0.80 KDM4E (0.50) ROCK2NPY5RKIF11ACHETBXAS1
SCHEMBL27051267 0.80 MAPT (0.44) ROCK2NPY5RKIF11ACHETBXAS1

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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