SCHEMBL8525867

SCHEMBL8525867

CCOC(=O)c1cc(-c2nc(-c3ccc4c(c3)CCCC(=O)N4C(C)C)cs2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.46
CDC25B P30305 3/20 0.46
CDC25C P30307 3/20 0.46
DUSP3 P51452 3/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CLK1 P49759 1/20 0.45
CDK5 Q00535 11/20 0.42
CDK5R1 Q15078 11/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 2/20 0.40
TP53 P04637 1/20 0.40
GFER P55789 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL8525097 0.81 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8480004 0.80 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8485341 0.78 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3NPC1
Hydrochloric Acid SCHEMBL8524829 0.78 CYP19A1 (0.48) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8525471 0.77 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8484367 0.76 CDC25A (0.48) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8480593 0.76 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8485907 0.74 CDC25A (0.47) CDC25ACDC25BCDC25CDUSP3NPC1
Hydrochloric Acid SCHEMBL8525371 0.74 CDC25A (0.48) CDC25ACDC25BCDC25CDUSP3NPC1
SCHEMBL8524902 0.71 RAB9A (0.44) CDC25ACDC25BCDC25CDUSP3NPC1

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
WO-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed