SCHEMBL6602382

SCHEMBL6602382

O=C(O)c1cc(OCc2ccccc2)c2cc(N3CCN(Cc4ccccc4)CC3)cc([N+](=O)[O-])c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 4/20 0.44
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 2/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL6081022 0.91 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1HTTL3MBTL1
SCHEMBL6602148 0.90 MET (0.49) MAPTMAPK1POLBKMT2A
SCHEMBL6597732 0.90 POLB (0.48) ALDH1A1MAPTMAPK1HTTLMNA
SCHEMBL6597740 0.90 POLB (0.48) ALDH1A1MAPTMAPK1HTTLMNA
SCHEMBL6081024 0.84 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1HTTL3MBTL1
SCHEMBL6604199 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL6080321 0.82 MET (0.49) ALDH1A1MAPTMAPK1KMT2A
SCHEMBL6080362 0.81 POLB (0.45) ALDH1A1MAPTMAPK1HTTL3MBTL1
SCHEMBL6594175 0.80 CTSV (0.44) L3MBTL1TDP1POLB
SCHEMBL6594769 0.80 CTSV (0.44) L3MBTL1TDP1POLB

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed