SCHEMBL5142295

SCHEMBL5142295

O=C(NCC(O)CO)c1cccc(N2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)SC2=S)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
USP2 O75604 1/20 0.51
DNMT1 P26358 1/20 0.51
BLM P54132 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
RECQL P46063 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
DUSP22 Q9NRW4 1/20 0.44

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
SCHEMBL3037107 0.89 MAP3K5 (0.56) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3037108 0.89 MAP3K5 (0.56) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3036203 0.89 MAP3K5 (0.53) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3036202 0.85 MAP3K5 (0.55) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3036199 0.85 MAP3K5 (0.55) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3042959 0.84 DUSP22 (0.63) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL13220195 0.84 DUSP22 (0.63) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3034569 0.83 DUSP22 (0.62) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3033762 0.83 MAP3K5 (0.53) MAP3K5MEN1KMT2AUSP2DNMT1
SCHEMBL3033764 0.83 MAP3K5 (0.53) MAP3K5MEN1KMT2AUSP2DNMT1

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-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 WO disclosed