SCHEMBL5778432

SCHEMBL5778432

Nc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1.O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
NPBWR1 P48145 1/20 0.56
MCHR1 Q99705 1/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX12 P18054 1/20 0.55
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
TSHR P16473 1/20 0.51
ENPP2 Q13822 1/20 0.51
ACHE P22303 1/20 0.51
DRD4 P21917 1/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL4506302 0.94 POLB (0.65) POLBNPBWR1MCHR1MAPTALDH1A1
SCHEMBL4493810 0.88 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2ALOX12
SCHEMBL6702413 0.87 ALDH1A1 (0.60) POLBMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL31349281 0.82 ALDH1A1 (0.74) POLBMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1126947 0.82 POLB (0.75) POLBNPBWR1MCHR1MAPTALDH1A1
SCHEMBL15347670 0.81 POLB (0.73) POLBNPBWR1MCHR1MAPTALDH1A1
SCHEMBL5540751 0.78 SIGMAR1 (0.65) MAPTALDH1A1LMNAKDM4ESIGMAR1
SCHEMBL5206645 0.77 POLB (0.68) POLBNPBWR1MCHR1MAPTALDH1A1
SCHEMBL16299053 0.77 ALDH1A1 (0.74) POLBMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6695285 0.77 KCNJ1 (0.65) POLBMAPTALDH1A1SMN1; SMN2KDM4E

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
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed