SCHEMBL14376992

SCHEMBL14376992

N#Cc1ccc(N2CCC(N3CCCCCC3=O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
MAPK1 P28482 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 8/20 0.47
GAA P10253 4/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL14334385 0.83 KDM4E (0.44) MAPTTDP1ALDH1A1GAAHTT
SCHEMBL14334453 0.82 MAPT (0.51) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL31587859 0.82 ALDH1A1 (0.65) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL23850391 0.82 ALDH1A1 (0.65) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL14334488 0.81 SMN1; SMN2 (0.52) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL14335278 0.81 ALDH1A1 (0.53) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL14334794 0.80 SMN1; SMN2 (0.52) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL14334698 0.78 MAPT (0.46) MAPTMAPK1ALDH1A1GAAABCB1
SCHEMBL23851510 0.78 MAPT (0.59) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL14335232 0.78 MAPT (0.54) MAPTMAPK1TDP1ALDH1A1GAA

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-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed