SCHEMBL6174538

SCHEMBL6174538

COc1cccc(OC)c1CNC(=O)Nc1snc(OC(C)c2cccnc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.44
TGFBR2 P37173 1/20 0.44
ROCK2 O75116 1/20 0.39
MAPK1 P28482 2/20 0.39
NAMPT P43490 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
KCNA5 P22460 1/20 0.35
PDE4D Q08499 1/20 0.35
ATM Q13315 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL414121 0.92 ACVR2A (0.53) ACVR2ATGFBR2ROCK2MAPK1NAMPT
SCHEMBL412981 0.77 ACVR2A (0.53) ACVR2ATGFBR2NAMPTL3MBTL1ALDH1A1
SCHEMBL414392 0.75 ACVR2A (0.76) ACVR2ATGFBR2NAMPTL3MBTL1ATM
SCHEMBL409761 0.74 ACVR2A (0.47) ACVR2ATGFBR2RORCMEN1ALDH1A1
SCHEMBL3424283 0.74 ACVR2A (0.64) ACVR2ATGFBR2NAMPTL3MBTL1ATM
SCHEMBL412983 0.66 ACVR2A (0.40) ACVR2ATGFBR2KCNA5RORCMEN1
SCHEMBL21932072 0.63 ACVR2A (0.80) ACVR2ATGFBR2ROCK2NAMPTL3MBTL1
SCHEMBL411189 0.62 ACVR2A (0.79) ACVR2ATGFBR2NAMPTL3MBTL1MEN1
SCHEMBL411369 0.61 ACVR2A (1.00) ACVR2ATGFBR2NAMPTL3MBTL1ALDH1A1
SCHEMBL28872280 0.59 HIF1A (0.54) ROCK2MEN1ALDH1A1GAAHPGD

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-1590347-A1 ISOTHIAZOLE DERIVATIVES Pfizer Products Inc. (US) 2005-11-02 EP disclosed
WO-2004067530-A1 ISOTHIAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-08-12 WO disclosed