SCHEMBL27909302

SCHEMBL27909302

O=[N+]([O-])c1ccc(Cl)cc1N1CCC(N2[CH]N(Cc3ccccc3Cl)c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ LMNA P02545 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ENPP2 Q13822 2/20 0.40
▸ CHRM1 P11229 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 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
SCHEMBL27909415 0.85 MAPT (0.43) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL27892282 0.84 MAPT (0.42) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL9982680 0.78 C5AR1 (0.49) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL27892283 0.72 SLC6A2 (0.41) LMNAALDH1A1OPRM1KDM4EPLA2G1B
SCHEMBL3536097 0.71 LMNA (0.73) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL30784585 0.70 MAPT (0.72) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL3534109 0.70 LMNA (0.71) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL2041681 0.70 MAPT (0.79) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL5093165 0.68 POLB (1.00) MAPTL3MBTL1LMNAPOLBALDH1A1
SCHEMBL27909414 0.67 LMNA (0.52) MAPTL3MBTL1LMNAPOLBALDH1A1

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
CN-102947275-A Piperidinyl-substituted 1, 3-dihydro-benzimidazol-2-ylideneamine derivatives NOVARTIS AG 2013-02-27 — — CN disclosed
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