SCHEMBL5043910

SCHEMBL5043910

COc1ccc(-c2nc(-c3cc(OC(=O)NC4CC4)c(C)n3CC3CCCCC3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
CDC25C P30307 2/20 0.45
DUSP3 P51452 2/20 0.45
FAAH O00519 10/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
OXTR P30559 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
SCHEMBL5140692 0.98 FAAH (0.46) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5039564 0.98 FAAH (0.46) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5039914 0.91 CDC25A (0.45) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5040284 0.90 CDC25A (0.42) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5043836 0.89 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3ALDH1A1
SCHEMBL5048642 0.89 CDC25A (0.44) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5047022 0.88 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5045038 0.88 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5046954 0.88 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3FAAH
SCHEMBL5043889 0.88 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3FAAH

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
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed