SCHEMBL30889091

SCHEMBL30889091

[O-][S+](c1cc2c(cc1O)CCC2)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ADCY6 O43306 1/20 0.31
▸ ADCY3 O60266 1/20 0.31
▸ ADCY9 O60503 1/20 0.31
▸ ADCY5 O95622 1/20 0.31
▸ ADCY8 P40145 1/20 0.31
▸ ADCY7 P51828 1/20 0.31
▸ ADCY2 Q08462 1/20 0.31
▸ ADCY1 Q08828 1/20 0.31
▸ ADCY4 Q8NFM4 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL10561747 0.85 ADCY6 (0.53) KDM4EMAPTADCY6ADCY3ADCY9
Bromide SCHEMBL10561857 0.83 ADCY6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL6568351 0.63 MAPT (0.67) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL20141256 0.63 MAPT (0.48) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL30042082 0.63 MAPT (0.48) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL2788382 0.63 ALDH1A1 (0.58) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL11524577 0.63 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL10563469 0.61 ADCY5 (0.59) KDM4EADCY6ADCY3ADCY9ADCY5
Hydrochloric Acid SCHEMBL10350885 0.60 ADCY5 (0.57) KDM4EGAAADCY6ADCY3ADCY9
SCHEMBL1646406 0.59 ALDH1A1 (0.91) KDM4EMEN1ALDH1A1GAAMAPT

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
CN-117945973-A Trifluoromethyl sulfoxide reagent and preparation method and application thereof 西北大学 2024-04-30 — — CN disclosed
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