SCHEMBL10055475

SCHEMBL10055475

CC[C@@H](CN(C(N)=O)C(=O)NCc1ccc(C)cc1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 4/20 0.40
PKM P14618 1/20 0.40
PPARG P37231 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL10056056 0.88 MEN1 (0.45) MEN1KMT2AEPHX2PPARGCA1
SCHEMBL10055187 0.85 L3MBTL1 (0.44) ATML3MBTL1MEN1KMT2APKM
SCHEMBL10056203 0.79 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2TSHRNPC1
SCHEMBL10055215 0.78 SMN1; SMN2 (0.46) MEN1KMT2APKMSMN1; SMN2NPC1
SCHEMBL10055235 0.76 PPID (0.45) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15044032 0.75 SMN1; SMN2 (0.42) MEN1KMT2APKMSMN1; SMN2NPC1
SCHEMBL10055319 0.75 CYP2C9 (0.48) L3MBTL1MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL10056291 0.75 TSHR (0.56) L3MBTL1MEN1KMT2ACA7CA14
SCHEMBL10055797 0.75 CARM1 (0.47) L3MBTL1MEN1KMT2AEPHX2PKM
SCHEMBL10056343 0.74 PPID (0.43) SMN1; SMN2NPC1HPGDLMNA

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
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 WO disclosed