SCHEMBL15043976

SCHEMBL15043976

COC(=O)[C@H](C)NC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.50
TSHR P16473 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.39
CAD P27708 1/20 0.38
BIRC2 Q13490 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10055358 1.00 CA14 (0.50) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL22822298 1.00 CA14 (0.50) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL27654640 0.81 CAD (0.55) TSHRALDH1A1HPGDCAD
SCHEMBL11664935 0.81 CA14 (0.52) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4103383 0.80 CA14 (0.46) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL22688557 0.80 CA12 (0.42) CA14MEN1KMT2AMAPTRECQL
SCHEMBL21549703 0.80 CA12 (0.42) CA14MEN1KMT2AMAPTRECQL
SCHEMBL22266570 0.79 CA14 (0.50) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL1884920 0.79 CA14 (0.50) CA14TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL15561530 0.79 CA14 (0.50) CA14TSHRMEN1KMT2ASMN1; SMN2

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-2013089212-A1 SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 塩野義製薬株式会社 (JP) 2013-06-20 WO disclosed