SCHEMBL9519978

SCHEMBL9519978

O=C(O)c1sc(=O)n(CC2CC2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
CNR2 P34972 15/20 0.34
CNR1 P21554 8/20 0.34
FEN1 P39748 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL9868262 0.81 CNR2 (0.48) CNR2CNR1ALDH1A1
SCHEMBL9519739 0.78 CNR2 (0.32) CNR2CNR1
SCHEMBL10391800 0.77 CNR2 (0.38) NOTUMCNR2CNR1
SCHEMBL10391799 0.77 CNR2 (0.33) CNR2CNR1ALDH1A1
SCHEMBL9522954 0.75
SCHEMBL9521586 0.75 CYP3A4 (0.36) ALDH1A1LMNAPOLB
SCHEMBL9520403 0.72
SCHEMBL9868309 0.72 KDM4E (0.47) NOTUMALDH1A1
SCHEMBL9519955 0.64 POLB (0.43) NOTUMALDH1A1POLB
SCHEMBL23153535 0.63 GRM2 (0.42) NOTUMCNR2ALDH1A1

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
EP-0300898-B1 PYRETHRINOID DERIVATIVES CONTAINING AN N-HETEROCYCLE, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
EP-0300898-A1 Pyrethrinoid derivatives containing an N-heterocycle, processes and intermediates for their preparation, their use as pesticides and compositions containing them ROUSSEL-UCLAF (FR) 1989-01-25 EP disclosed