SCHEMBL6829904

SCHEMBL6829904

CC(C)c1cc(=O)[nH]nc1-c1sc(C(=O)NC2CC2)nc1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
DYRK1A Q13627 1/20 0.38
DPP4 P27487 1/20 0.38
CNR2 P34972 3/20 0.37
MAPK1 P28482 2/20 0.37
KDM5A P29375 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
DGAT1 O75907 3/20 0.36
GABRA5 P31644 1/20 0.36
CNR1 P21554 2/20 0.36
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAP3K5 Q99683 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
SCHEMBL6829284 0.91 MAPK8 (0.43) NPC1RAB9ADYRK1AMAPK1DGAT1
SCHEMBL6828343 0.85 TP53 (0.39) NPC1RAB9AMAPK1TP53MAPK14
SCHEMBL6828736 0.78 MAPK8 (0.46) NPC1RAB9ACNR2MAPK1CNR1
SCHEMBL6828337 0.77 CHEK1 (0.40) NPC1RAB9AMAPK14
SCHEMBL6825993 0.77 ADORA3 (0.45) NPC1RAB9ATP53
SCHEMBL6828673 0.76 MAPK8 (0.44) NPC1RAB9ASMYD3DYRK1AMAPK1
SCHEMBL6828491 0.74 MAPK8 (0.42) NPC1RAB9ADYRK1ACNR2MAPK1
SCHEMBL6828438 0.74 L3MBTL1 (0.43) MAPK1
SCHEMBL6133269 0.73 HPGD (0.42) NPC1RAB9ATDP1SMYD3DPP4
SCHEMBL6830646 0.72 ADORA2A (0.53) NPC1RAB9A

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-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed