SCHEMBL4444773

SCHEMBL4444773

CC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCCNC2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
HCAR3 P49019 5/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GAA P10253 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4436874 0.91 HTT (0.37) HTTNPC1LMNARAB9AHCAR3
SCHEMBL4439398 0.89 KDM4E (0.40) HTTNPC1LMNARAB9AHCAR3
SCHEMBL4434892 0.89 MCOLN3 (0.35) HTTNPC1LMNARAB9AMAPT
SCHEMBL4437157 0.88 HCAR3 (0.39) HTTNPC1LMNARAB9AHCAR3
SCHEMBL4434895 0.88 MAPK1 (0.37) HTTNPC1LMNARAB9AMAPT
SCHEMBL4445379 0.87 RPLP1 (0.38) HTTNPC1LMNARAB9AMAPT
SCHEMBL5262268 0.87 MAPT (0.40) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4445337 0.87 MAPT (0.40) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4436446 0.86 JAK2 (0.37) HTTNPC1LMNARAB9AMAPT
SCHEMBL4439944 0.85 KMT2A (0.36) HTTKMT2ASMN1; SMN2CYP3A4

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