SCHEMBL4437157

SCHEMBL4437157

CC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPT P10636 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
PDE7A Q13946 1/20 0.34
VCAM1 P19320 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4434940 0.90 MEN1 (0.39) HCAR3MEN1KMT2AHTTLMNA
SCHEMBL4444969 0.88 VCAM1 (0.42) HCAR3MEN1KMT2AHTTLMNA
SCHEMBL4444773 0.88 HTT (0.38) HCAR3MEN1KMT2AHTTLMNA
SCHEMBL4433895 0.88 KDM4E (0.39) HCAR3MEN1KMT2ALMNACYP3A4
SCHEMBL4434450 0.87 TACR1 (0.38) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL4444516 0.87 MAPK1 (0.40) MEN1KMT2AHTTLMNANPC1
SCHEMBL4439400 0.86 POLB (0.40) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4437504 0.86 MAPT (0.45) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL4445145 0.85 CYP2C9 (0.41) MEN1KMT2AHTTLMNANPC1
SCHEMBL4438391 0.84 KMT2A (0.36) KMT2AHTTLMNAMAPTSMN1; SMN2

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