SCHEMBL21925142

SCHEMBL21925142

Cn1c(-c2ncc(C(F)(F)F)cc2S(=O)(=O)c2ncccn2)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ ALDH1A1 P00352 6/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SLC40A1 Q9NP59 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 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
SCHEMBL21925153 0.85 POLB (0.40) POLBGRIN1GRIN2BPTGS2PTGS1
SCHEMBL14684583 0.83 POLB (0.48) POLBALDH1A1RAB9AMEN1NPC1
SCHEMBL29360277 0.83 POLB (0.48) POLBALDH1A1RAB9AMEN1NPC1
SCHEMBL21925117 0.83 KMT2A (0.41) POLBPTGS2LMNAHTTALDH1A1
SCHEMBL17342177 0.82 POLB (0.43) POLBPTGS2PTGS1LMNAHTT
SCHEMBL16716432 0.81 POLB (0.47) POLBLMNAHTTALDH1A1RAB9A
SCHEMBL14677002 0.81 POLB (0.45) POLBGRIN1GRIN2BPTGS2PTGS1
SCHEMBL29431647 0.81 POLB (0.45) POLBGRIN1GRIN2BPTGS2PTGS1
SCHEMBL21925107 0.81 POLB (0.40) POLBPTGS2LMNAALDH1A1RAB9A
SCHEMBL21925114 0.81 POLB (0.39) POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 — — EP disclosed
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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