SCHEMBL9519955

SCHEMBL9519955

O=C(O)c1sc(=O)n(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
NOTUM Q6P988 1/20 0.42
GSK3B P49841 5/20 0.42
GSK3A P49840 4/20 0.42
KMT2A Q03164 4/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
G6PD P11413 1/20 0.35
TLR9 Q9NR96 1/20 0.35
DAO P14920 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
SCHEMBL10392954 0.78 GSK3B (0.44) POLBSMN1; SMN2MAPTNOTUMGSK3B
SCHEMBL10392953 0.78 GSK3B (0.44) POLBSMN1; SMN2MAPTNOTUMGSK3B
SCHEMBL9521107 0.77 GSK3B (0.41) POLBSMN1; SMN2MAPTNOTUMGSK3B
SCHEMBL9868309 0.75 KDM4E (0.47) MAPTNOTUMGSK3BGSK3AKMT2A
SCHEMBL9521154 0.66 GSK3B (0.46) POLBSMN1; SMN2NOTUMGSK3BGSK3A
SCHEMBL11396889 0.65 ALDH1A1 (0.55) POLBSMN1; SMN2MAPTKMT2AGAA
SCHEMBL9521586 0.65 CYP3A4 (0.36) POLBSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL9522954 0.65
SCHEMBL9519978 0.64 NOTUM (0.36) POLBNOTUMALDH1A1
SCHEMBL3050974 0.64 NOTUM (0.57) POLBSMN1; SMN2MAPTNOTUMGSK3B

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