SCHEMBL4437504

SCHEMBL4437504

CC(C)(C)OC(=O)N(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.40
HPD P32754 1/20 0.40
PARP14 Q460N5 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL4434450 0.89 TACR1 (0.38) MAPTALDH1A1MEN1KMT2ATACR1
SCHEMBL5262268 0.88 MAPT (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4445337 0.88 MAPT (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4433895 0.88 KDM4E (0.39) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4444516 0.87 MAPK1 (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4437157 0.86 HCAR3 (0.39) MAPTMEN1KMT2AMAPK1CYP1A2
SCHEMBL4439400 0.86 POLB (0.40) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4445145 0.85 CYP2C9 (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4434940 0.84 MEN1 (0.39) MAPTMEN1KMT2ACYP2D6LMNA
SCHEMBL4438391 0.84 KMT2A (0.36) MAPTALDH1A1KMT2AMAPK1CYP1A2

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