SCHEMBL5828173

SCHEMBL5828173

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FPR2 P25090 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20670357 0.84 EPHX2 (0.38) SMN1; SMN2MEN1KMT2ACHRNB4CHRNA3
SCHEMBL5828172 0.84 FPR2 (0.39) KDM4ESMN1; SMN2MEN1KMT2AFPR2
SCHEMBL5827619 0.83 GNAI3 (0.35) KDM4EFPR2TP53ALDH1A1CYP1A2
SCHEMBL13990336 0.82 MMP2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL5828040 0.80 LMNA (0.38) KDM4ESMN1; SMN2TP53CYP1A2TDP1
SCHEMBL18502891 0.76 TP53 (0.47) MEN1KMT2ATP53ALDH1A1
SCHEMBL12197840 0.73 KMT2A (0.64) KDM4ESMN1; SMN2MEN1KMT2ACHRNB4
SCHEMBL4064292 0.72 EPHX2 (0.40) KDM4EALDH1A1KDM4C
SCHEMBL25099131 0.71 TSHR (0.36) KDM4EFPR2TP53ALDH1A1KDM4C
SCHEMBL24369842 0.71 TSHR (0.36) KDM4EFPR2TP53ALDH1A1KDM4C

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