SCHEMBL28003019

SCHEMBL28003019

COC(=O)N(C)c1cncnc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
LIPE Q05469 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM5 P41594 6/20 0.34
SYK P43405 2/20 0.34
PGR P06401 1/20 0.33
GRM1 Q13255 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 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
SCHEMBL19483214 0.80 HCAR2 (0.35) HCAR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL26957589 0.78 NOTUM (0.51) ALOX15TSHRLIPEMEN1KMT2A
SCHEMBL432934 0.77 HCAR2 (0.44) ALOX15HCAR2MEN1KMT2AKDM4E
SCHEMBL28189368 0.75 HCAR2 (0.38) HCAR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5264575 0.72 RAB9A (0.39) ALOX15TSHRKDM4EALDH1A1
SCHEMBL491229 0.71 RAB9A (0.54) ALOX15TSHRLIPEMEN1KMT2A
SCHEMBL13896967 0.71 SMN1; SMN2 (0.38) ALOX15TSHRMEN1KMT2AALDH1A1
SCHEMBL8861880 0.69 CA12 (0.47) ALOX15TSHRMEN1KMT2AALDH1A1
SCHEMBL15161225 0.69 ALDH1A1 (0.51) ALOX15TSHRLIPEMEN1KMT2A
SCHEMBL18019553 0.69 MAP3K5 (0.33)

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
CN-103396399-B Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same DAIICHI SANKYO CO LTD 2015-04-29 CN disclosed