SCHEMBL28599486

SCHEMBL28599486

FC(F)(F)c1cccc(CN2CCSCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
ALDH1A1 P00352 3/20 0.72
GAA P10253 2/20 0.72
LMNA P02545 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CNR2 P34972 1/20 0.62
FAAH O00519 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
TRPV1 Q8NER1 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
OPRL1 P41146 1/20 0.48

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
SCHEMBL29671377 1.00 KDM4E (0.72) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL28226263 0.91 KDM4E (0.64) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL4244138 0.85 ALDH1A1 (0.97) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL12449568 0.84 MEN1 (0.60) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL4235961 0.84 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL30341002 0.84 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL5577937 0.83 KDM4E (0.74) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL6928385 0.81 KDM4E (0.72) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL1761029 0.81 ALDH1A1 (0.72) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL2093612 0.81 KDM4E (0.72) KDM4EALDH1A1GAALMNAMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087684-B Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-06-21 CN claimed
CN-113087684-A Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-07-09 CN claimed
CN-113201020-B Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-10-04 CN disclosed
CN-113087684-B Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2022-06-21 CN disclosed
CN-113201020-A Preparation method of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-08-03 CN disclosed
CN-113087684-A Application of bis (triphenylphosphine) carbonyl ruthenium dichloride monohydrate 浙江工业大学 2021-07-09 CN disclosed