SCHEMBL22448976

SCHEMBL22448976

CC(C)(C)OC(=O)C(Cc1ccc(-c2ncc(/C(N)=N/N)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.44
▸ MAPT P10636 7/20 0.42
▸ TDP1 Q9NUW8 5/20 0.42
▸ POLB P06746 3/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LY96 Q9Y6Y9 1/20 0.38

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
SCHEMBL16295278 0.88 ROCK2 (0.49) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL16295279 0.88 ROCK2 (0.49) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL15037039 0.86 MAPT (0.46) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL16342898 0.86 MAPT (0.46) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL22384184 0.85 ROCK2 (0.45) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL15037142 0.85 ROCK2 (0.45) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL22384169 0.85 MAPT (0.45) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL28294750 0.85 MAPT (0.50) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL28294749 0.85 MAPT (0.50) ROCK2MAPTTDP1POLBNPSR1
SCHEMBL22384255 0.84 MAPT (0.42) ROCK2MAPTTDP1POLBNPSR1

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
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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