SCHEMBL9637140

SCHEMBL9637140

[CH2]C(=O)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.50
P2RX7 Q99572 16/20 0.48
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL28311763 0.85 CTSS (0.55) CTSSCTSKP2RX7LMNAGAA
SCHEMBL108509 0.83 CTSS (0.54) CTSSCTSKP2RX7LMNAGAA
SCHEMBL422330 0.83 TSHR (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL16127683 0.83 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
Hydrochloric Acid SCHEMBL2990630 0.81 TSHR (0.55) CTSSCTSKP2RX7LMNAGAA
SCHEMBL29542921 0.81 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL3185133 0.81 CTSS (0.52) CTSSCTSKP2RX7LMNAGAA
SCHEMBL324095 0.81 CTSS (0.57) CTSSCTSKP2RX7LMNAGAA
SCHEMBL9524633 0.81 CTSS (0.56) CTSSCTSKP2RX7LMNAGAA
SCHEMBL30562236 0.81 CTSS (0.56) CTSSCTSKP2RX7LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP claimed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP claimed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed