SCHEMBL13539409

SCHEMBL13539409

COc1cc(C(O)(CN)c2ccc(Cl)c(OC)c2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PRKACA P17612 2/20 0.38
▸ AKT1 P31749 2/20 0.38
▸ AKT2 P31751 2/20 0.38
▸ AKT3 Q9Y243 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ RPS6KA4 O75676 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ RPS6KB1 P23443 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
SCHEMBL13460576 0.76 MAPT (0.35) MEN1KMT2ANPSR1LMNAHTT
SCHEMBL7807960 0.75 DYRK1A (0.42) TAAR1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL10227980 0.75 RIPK2 (0.42) LMNAALDH1A1MAPTDYRK1ACYP2C9
SCHEMBL11844851 0.74 ALDH1A1 (0.41) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL179444 0.74 CYP2C19 (0.44) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL21501284 0.73 MAPT (0.39) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL13347572 0.73 MAPT (0.50) MEN1KMT2ANPSR1LMNAHTT
SCHEMBL24486537 0.72 ALDH1A1 (0.44) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL29131004 0.71 MAPT (0.43) MEN1KMT2ANPSR1ALDH1A1MAPT
SCHEMBL5348425 0.70 MAPT (0.39) MEN1KMT2ANPSR1ALDH1A1MAPT

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-2010007800-A1 NOVEL URACIL COMPOUND HAVING AMIDE STRUCTURE AND SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-01-21 — — WO disclosed
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