SCHEMBL5262268

SCHEMBL5262268

CC(C)(C)OC(=O)N(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPD P32754 2/20 0.39
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.38
PARP14 Q460N5 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4445337 1.00 MAPT (0.40) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4434892 0.89 MCOLN3 (0.35) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL4437504 0.88 MAPT (0.45) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4434895 0.88 MAPK1 (0.37) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4444773 0.87 HTT (0.38) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4445379 0.87 RPLP1 (0.38) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4436446 0.86 JAK2 (0.37) MAPTKMT2AALDH1A1LMNA
SCHEMBL4439944 0.85 KMT2A (0.36) KMT2AALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL4436874 0.85 HTT (0.37) MAPTMEN1KMT2ACYP2D6LMNA
SCHEMBL4439398 0.84 KDM4E (0.40) MAPTMEN1KMT2AALDH1A1MAPK1

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-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed