SCHEMBL4435949

SCHEMBL4435949

COc1ccc(N2CCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.63
RECQL P46063 1/20 0.63
ALDH1A1 P00352 10/20 0.61
GFER P55789 1/20 0.59
MAPK1 P28482 4/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 2/20 0.58
HSP90AA1 P07900 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL5323662 0.85 MAPT (0.67) MAPTRECQLALDH1A1GFERMAPK1
Hydrochloric Acid SCHEMBL5326598 0.84 MAPT (0.66) MAPTRECQLALDH1A1GFERMAPK1
SCHEMBL5483633 0.83 MAPT (0.65) MAPTRECQLALDH1A1MAPK1LMNA
SCHEMBL4435995 0.82 MAPT (0.70) MAPTRECQLALDH1A1GFERMAPK1
SCHEMBL14376967 0.81 MAPT (0.62) MAPTRECQLALDH1A1GFERMAPK1
SCHEMBL12643176 0.81 MAPT (0.74) MAPTRECQLALDH1A1GFERMAPK1
SCHEMBL4438156 0.81 MAPK1 (0.69) MAPTALDH1A1MAPK1LMNAGAA
Hydrochloric Acid SCHEMBL15819898 0.80 MAPT (0.61) MAPTRECQLALDH1A1GFERMAPK1
SCHEMBL6606591 0.79 MAPT (0.61) MAPTRECQLALDH1A1GFERMAPK1
SCHEMBL4436843 0.79 MEN1 (0.70) MAPTALDH1A1GFERMAPK1LMNA

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed