SCHEMBL8485449

SCHEMBL8485449

CN(C)C(=O)CN1C(=O)CCCc2cc(-c3csc(-c4ccncc4)n3)ccc21

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
CYP19A1 P11511 3/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 1/20 0.38
EIF4E P06730 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP2 O75604 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
SCHEMBL8523909 0.89 CDC25A (0.44) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8524942 0.87 CDC25A (0.43) CDC25ACDC25BCDC25CDUSP3CYP19A1
Hydrochloric Acid SCHEMBL8525371 0.87 CDC25A (0.48) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8525405 0.86 CDC25A (0.51) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8525733 0.85 KMT2A (0.41) CDC25ACDC25BCDC25CDUSP3CYP19A1
Hydrochloric Acid SCHEMBL8524566 0.84 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8525234 0.84 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8483711 0.83 CDC25A (0.46) CDC25ACDC25BCDC25CDUSP3CYP19A1
Hydrochloric Acid SCHEMBL8524982 0.81 CDC25A (0.49) CDC25ACDC25BCDC25CDUSP3CYP19A1
Hydrochloric Acid SCHEMBL8523582 0.81 CDC25A (0.47) CDC25ACDC25BCDC25CDUSP3CYP19A1

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