SCHEMBL6825786

SCHEMBL6825786

CC(C)n1nc(-c2sc(NC(=O)CNCC(O)CO)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.43
ADORA1 P30542 8/20 0.43
XIAP P98170 3/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 1/20 0.39
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
Hydrochloric Acid SCHEMBL6829199 0.91 ADORA2A (0.44) ADORA2AADORA1XIAPMAPTHTT
Hydrochloric Acid SCHEMBL6924932 0.91 ADORA2A (0.44) ADORA2AADORA1XIAPMAPTHTT
Hydrochloric Acid SCHEMBL6133657 0.91 ADORA2A (0.44) ADORA2AADORA1XIAPMAPTHTT
Hydrochloric Acid SCHEMBL6134333 0.89 ADORA2A (0.43) ADORA2AADORA1XIAPMAPTHTT
SCHEMBL6133951 0.89 ADORA2A (0.45) ADORA2AADORA1XIAPMAPTHTT
SCHEMBL6134810 0.87 ADORA2A (0.47) ADORA2AADORA1XIAPMAPTHTT
Hydrochloric Acid SCHEMBL6134092 0.86 ADORA2A (0.43) ADORA2AADORA1XIAPMAPTHTT
Hydrochloric Acid SCHEMBL6133730 0.86 ADORA2A (0.46) ADORA2AADORA1XIAPMAPTHTT
SCHEMBL6133306 0.85 ADORA1 (0.60) ADORA2AADORA1XIAPMAPTHTT
SCHEMBL6133361 0.85 ADORA2A (0.48) ADORA2AADORA1XIAPMAPTHTT

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