SCHEMBL28558010

SCHEMBL28558010

COC1(OC)C=CC2=Cc3ccccc3C(=O)C2=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.40
CDC25B P30305 4/20 0.40
MAPT P10636 3/20 0.34
PTPN1 P18031 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
IDO1 P14902 2/20 0.34
MEN1 O00255 1/20 0.34
BCHE P06276 1/20 0.34
PTPRC P08575 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
ACHE P22303 1/20 0.34
CES1 P23141 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28565131 0.81 CDC25A (0.42) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL9329488 0.70 PTPRC (0.44) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL3444897 0.66 CDC25B (0.57) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL1646179 0.66 MEN1 (0.40) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL28548542 0.66 CDC25A (0.36) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL6427919 0.64 CES1 (0.42) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL19171452 0.63
SCHEMBL8161494 0.63 THRB (0.33) THRBTDP1
SCHEMBL7119051 0.63 CDC25B (0.53) CDC25ACDC25BMAPTPTPN1KDM4E
SCHEMBL1895970 0.62 MAOA (0.41) CDC25ACDC25BMAPTPTPN1KDM4E

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
CN-106654332-B Organic phase electrolyte and application thereof in cathode of flow battery 天津大学 2021-04-27 CN claimed
CN-106654332-B Organic phase electrolyte and application thereof in cathode of flow battery 天津大学 2021-04-27 CN disclosed