SCHEMBL689301

SCHEMBL689301

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34
MAP2K2 P36507 4/20 0.34
MAP2K1 Q02750 4/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 2/20 0.31
HTT P42858 1/20 0.31

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) MAP2K2MAP2K1ALDH1A1GLATSHR
SCHEMBL689128 0.84 MAPT (0.37) PTPN1ALDH1A1GLATSHRMEN1
SCHEMBL688883 0.83 KEAP1 (0.38) ALDH1A1GLATSHRMEN1MAPT
SCHEMBL2002664 0.70 PTGDR2 (0.44) ALDH1A1GLATSHRMAPTHPGD
SCHEMBL688887 0.67 LMNA (0.41) ALDH1A1GLATSHRMEN1MAPT
SCHEMBL18038517 0.66 MAP2K2 (0.41) MAP2K2MAP2K1
SCHEMBL688069 0.66 MAP2K2 (0.46) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL689046 0.66 RORC (0.40) ALDH1A1GLATSHRMAPT
SCHEMBL31373249 0.65 MAP2K2 (0.41) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL688068 0.65 MAP2K2 (0.37) PTPRCPTPN2PTPN1PTPRAPTPRB

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