SCHEMBL1870426

SCHEMBL1870426

COC(=O)CCc1cc(-n2nnc3ccccc32)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.44
▸ MAOA P21397 2/20 0.44
▸ GAA P10253 4/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ACHE P22303 1/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ F2R P25116 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL8468557 0.89 MAOB (0.44) MAOBMAOAGAAKMT2AMEN1
SCHEMBL8466675 0.89 ALOX5 (0.38) MAOBMAOAGAAKMT2AMEN1
SCHEMBL31360 0.82 GAA (0.47) MAOBMAOAGAAKMT2AMEN1
SCHEMBL7068865 0.82 GAA (0.47) MAOBMAOAGAAKMT2AMEN1
SCHEMBL29350844 0.82 GAA (0.47) MAOBMAOAGAAKMT2AMEN1
SCHEMBL10482111 0.81 MAOB (0.33) MAOBMAOAGAAKMT2AMEN1
SCHEMBL10394408 0.81 MAOB (0.38) MAOBMAOAGAAKMT2AMEN1
SCHEMBL7593809 0.79 MAOB (0.45) MAOBMAOAGAAKMT2AMEN1
Benzotriazole SCHEMBL25370614 0.78 GAA (0.40) MAOBMAOAGAAKMT2AMEN1
SCHEMBL28421751 0.78 KCNMA1 (0.41) GAAKMT2AKCNMA1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947831-B2 Sulfoxides or sulfones grafted onto polymers BASF SE Ludwigshafen (DE) 2011-05-24 — — US disclosed
US-20070015870-A1 Sulfoxides or sulfones grafted onto polymers CIBA CORPORATION 2007-01-18 — — US disclosed
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