SCHEMBL20847445

SCHEMBL20847445

Cn1c(-c2ncc(C(F)(F)F)cc2S)nc2cc(OCC(F)(F)F)ncc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ CYP11B1 P15538 3/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ AGBL2 Q5U5Z8 1/20 0.34
▸ ACSS2 Q9NR19 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SSTR4 P31391 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ AGPAT2 O15120 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
SCHEMBL17901878 0.85 POLB (0.36) POLBCYP11B1CYP11B2AGBL2PTGS2
SCHEMBL17901809 0.84 POLB (0.39) POLBCYP11B1CYP11B2
SCHEMBL19755917 0.83 POLB (0.37) POLBCYP11B1CYP11B2AGBL2RORC
SCHEMBL17901875 0.81 POLB (0.39) POLBAGBL2ALDH1A1KDM4EJAK2
SCHEMBL20847439 0.74 POLB (0.40) POLBACSS2
SCHEMBL19755916 0.74 POLB (0.37) POLBAGBL2ACSS2RORCPTGS2
SCHEMBL20847520 0.74 POLB (0.38) POLB
SCHEMBL20847532 0.74 POLB (0.38) POLBALDH1A1PDE10A
SCHEMBL20847336 0.73 — —
SCHEMBL17896018 0.73 POLB (0.39) POLBALDH1A1

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
EP-3240786-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-03-27 — — EP disclosed
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