SCHEMBL688883

SCHEMBL688883

CCN(C(=O)C(=O)O)c1ccc(F)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
TSHR P16473 2/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PARP1 P09874 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.33
IKBKB O14920 1/20 0.33
GLA P06280 1/20 0.33
MAPK8 P45983 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
SCHEMBL688778 0.84 CSNK2A1 (0.37) TSHRPARP1MEN1MAPTKMT2A
SCHEMBL689128 0.84 MAPT (0.37) TSHRMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL689301 0.83 PTPRC (0.34) TSHRMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL688700 0.81 KDM4E (0.40) TSHRPARP1MEN1MAPTKMT2A
SCHEMBL31565670 0.75 IKBKB (0.49) KEAP1TSHRCES2CES1PARP1
SCHEMBL689046 0.71 RORC (0.40) TSHRCES2CES1MAPTALDH1A1
SCHEMBL12023001 0.71 MAPK8 (0.46) KEAP1CES2CES1PARP1MEN1
SCHEMBL2002664 0.70 PTGDR2 (0.44) TSHRCES2MAPTSMN1; SMN2ALDH1A1
SCHEMBL10209769 0.67 LMNA (0.47) KEAP1CES2CES1PARP1MEN1
SCHEMBL688887 0.67 LMNA (0.41) TSHRMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed