SCHEMBL30958307

SCHEMBL30958307

CCS(=O)(=O)c1cc(O)ccc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
RORC P51449 2/20 0.33
USP1 O94782 1/20 0.33
DDR1 Q08345 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL20547541 1.00 CNR2 (0.34) CNR2CA12CA9CA1CA2
SCHEMBL17494853 0.89 DDR1 (0.38) CNR2RORCDDR1S1PR1
SCHEMBL17824513 0.88 CA12 (0.36) CNR2CA12CA9CA1CA2
SCHEMBL30958299 0.88 DDR1 (0.37) CNR2CA12CA9CA1CA2
SCHEMBL17494868 0.88 DDR1 (0.37) CNR2CA12CA9CA1CA2
SCHEMBL21925099 0.88 DDR1 (0.40) CNR2DDR1KDM4EHPGD
SCHEMBL23961249 0.86 USP1 (0.43) CNR2CA12CA9USP1DDR1
SCHEMBL19684776 0.86 PTGS2 (0.35) CNR2CA12CA9CA1CA2
SCHEMBL17529568 0.85 CA12 (0.35) CNR2CA12CA9CA1CA2
SCHEMBL22189269 0.85 CNR2 (0.35) CNR2CA12CA9CA1CA2

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
CN-118745174-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-10-08 CN disclosed
CN-111836810-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-06-25 CN disclosed