SCHEMBL8525733

SCHEMBL8525733

O=C(CN1C(=O)CCCc2cc(-c3csc(-c4ccncc4)n3)ccc21)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 4/20 0.41
AR P10275 1/20 0.41
CDC25A P30304 4/20 0.41
CDC25B P30305 4/20 0.41
CDC25C P30307 4/20 0.41
DUSP3 P51452 4/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.40
MEN1 O00255 4/20 0.40
EIF4E P06730 2/20 0.39
CASP3 P42574 1/20 0.38
CASP2 P42575 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 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
SCHEMBL8524942 0.95 CDC25A (0.43) KMT2AKDM4EARCDC25ACDC25B
SCHEMBL8523909 0.90 CDC25A (0.44) KMT2AKDM4EARCDC25ACDC25B
Hydrochloric Acid SCHEMBL8525329 0.85 SMN1; SMN2 (0.45) KMT2AKDM4EARCDC25ACDC25B
SCHEMBL8485449 0.85 CDC25A (0.46) KMT2AKDM4ECDC25ACDC25BCDC25C
SCHEMBL8525405 0.83 CDC25A (0.51) KMT2AKDM4EARCDC25ACDC25B
SCHEMBL8525234 0.83 CDC25A (0.46) KMT2AKDM4EARCDC25ACDC25B
Hydrochloric Acid SCHEMBL8525371 0.82 CDC25A (0.48) KDM4ECDC25ACDC25BCDC25CDUSP3
SCHEMBL8486825 0.81 CDC25A (0.44) KMT2AKDM4EARCDC25ACDC25B
SCHEMBL8483711 0.81 CDC25A (0.46) KMT2AKDM4EARCDC25ACDC25B
SCHEMBL8524659 0.80 CYP19A1 (0.48) KMT2AKDM4ECDC25ACDC25BCDC25C

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