SCHEMBL5828172

SCHEMBL5828172

CC(C)NC(=O)C([O])C1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5828173 0.84 KDM4E (0.39) FPR2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5827618 0.81 FPR2 (0.37) FPR2KDM4ETP53CYP1A2TDP1
SCHEMBL5828038 0.77 LMNA (0.37) FPR2KDM4ESMN1; SMN2KMT2ATP53
SCHEMBL12197840 0.72 KMT2A (0.64) KDM4ESMN1; SMN2MEN1KMT2ACHRNB4
SCHEMBL4064292 0.70 EPHX2 (0.40) KDM4EALDH1A1KDM4C
SCHEMBL25099131 0.70 TSHR (0.36) FPR2KDM4ETP53ALDH1A1KDM4C
SCHEMBL24369842 0.70 TSHR (0.36) FPR2KDM4ETP53ALDH1A1KDM4C
SCHEMBL4921739 0.69 NCF1 (0.37) TP53
SCHEMBL12448078 0.69 EPHX1 (0.49) FPR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL23866564 0.68 KDM4E (0.55) KDM4ESMN1; SMN2MEN1KMT2ASIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed