SCHEMBL4445663

SCHEMBL4445663

CC(C)(C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 3/20 0.63
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
RECQL P46063 1/20 0.59
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 1/20 0.55
GAA P10253 3/20 0.54
NPSR1 Q6W5P4 2/20 0.53
PHGDH O43175 3/20 0.53
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL1265183 0.86 MAPT (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3485710 0.85 MAPT (0.73) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1110533 0.83 MAPT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1110574 0.83 MAPT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1110528 0.83 MAPT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1110483 0.83 MAPT (0.71) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28322333 0.82 MAPT (0.69) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL28322332 0.82 MAPT (0.65) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL23850176 0.81 MAPT (0.81) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL615409 0.81 MAPT (0.68) MAPTMEN1KMT2AALDH1A1LMNA

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