SCHEMBL21925095

SCHEMBL21925095

CCCS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ S1PR1 P21453 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ AGBL2 Q5U5Z8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ PKM P14618 2/20 0.31
▸ RORC P51449 2/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 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
SCHEMBL17018436 0.93 POLB (0.35) POLBS1PR1AGBL2LMNARORC
SCHEMBL16389671 0.86 PTGS2 (0.35) —
SCHEMBL19366944 0.85 KCNH2 (0.35) POLBRORCJAK2JAK1TYK2
SCHEMBL24313900 0.84 S1PR1 (0.34) POLBS1PR1CNR2
SCHEMBL29904267 0.84 S1PR1 (0.34) POLBS1PR1CNR2
SCHEMBL21925089 0.84 S1PR1 (0.32) POLBS1PR1AGBL2
SCHEMBL19366914 0.83 KCNH2 (0.34) S1PR1LMNARORCCNR2JAK2
SCHEMBL24314118 0.83 S1PR1 (0.34) POLBS1PR1RORCCNR2
SCHEMBL24313905 0.83 S1PR1 (0.34) POLBS1PR1CNR2
SCHEMBL24313969 0.83 S1PR1 (0.34) POLBS1PR1CNR2

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-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP claimed
EP-3016949-B1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
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