SCHEMBL13460547

SCHEMBL13460547

COc1cccc(C(O)(CN=[N+]=[N-])c2cccc(OC)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CTBP2 P56545 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ ENPP2 Q13822 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
SCHEMBL7125526 0.76 KIF11 (0.45) KIF11LMNAGAAHTTSMN1; SMN2
SCHEMBL28311749 0.76 CYP2C9 (0.41) LMNASMN1; SMN2NPSR1CYP3A4MEN1
SCHEMBL13460576 0.74 MAPT (0.35) LMNAHTTSMN1; SMN2NPSR1NPC1
SCHEMBL13460534 0.72 TP53 (0.39) LMNAGAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16937827 0.72 ACHE (0.40) KIF11LMNAGAAHTTSMN1; SMN2
SCHEMBL22932513 0.71 ACHE (0.50) KIF11LMNANPC1RAB9AHTR3E
SCHEMBL16401448 0.70 TAAR1 (0.50) SMN1; SMN2NPC1RAB9ACTBP2TAAR1
SCHEMBL30394051 0.70 TAAR1 (0.50) SMN1; SMN2NPC1RAB9ACTBP2TAAR1
SCHEMBL6273920 0.70 CES2 (0.44) KIF11LMNAHTTSMN1; SMN2NPC1
SCHEMBL8367527 0.70 ACHE (0.48) KIF11LMNAHTTSMN1; SMN2NPC1

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-2010023946-A1 NOVEL URACIL COMPOUND HAVING NITROGENATED HETEROCYCLIC RING OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-03-04 — — WO disclosed
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