SCHEMBL5835447

SCHEMBL5835447

CCOC(=O)c1cccc(COC(=O)Nc2nc(CC)cs2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 2/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 1/20 0.43
KIFC1 Q9BW19 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL10084516 0.83 SMN1; SMN2 (0.62) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27751166 0.76 LMNA (0.69) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4875670 0.76 SMN1; SMN2 (0.69) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10084297 0.74 TSHR (0.52) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL91510 0.73 MEN1 (0.53) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4873516 0.73 MAPK1 (0.56) MAPK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7817138 0.73 CYP4F2 (0.54) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL129801 0.72 CYP4F2 (0.71) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL91587 0.72 MAPK1 (0.63) MAPK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9153870 0.72 MAPK1 (0.55) MAPK1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed