SCHEMBL21925153

SCHEMBL21925153

Cn1c(-c2ncc(C(F)(F)F)cc2S(=O)(=O)c2ccncc2)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ PTGS2 P35354 5/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ COMT P21964 2/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ ABCC9 O60706 1/20 0.32
▸ ABCC8 Q09428 1/20 0.32
▸ KCNJ11 Q14654 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
SCHEMBL21925142 0.85 POLB (0.41) POLBPTGS2PTGS1ALDH1A1MAPT
SCHEMBL21925117 0.83 KMT2A (0.41) POLBPTGS2ALDH1A1MAPTHTT
SCHEMBL29360277 0.81 POLB (0.48) POLBALDH1A1NPC1RAB9AS1PR1
SCHEMBL14684583 0.81 POLB (0.48) POLBALDH1A1NPC1RAB9AS1PR1
SCHEMBL17342177 0.81 POLB (0.43) POLBPTGS2PTGS1ALDH1A1HTT
SCHEMBL16716432 0.80 POLB (0.47) POLBALDH1A1HTTLMNANPC1
SCHEMBL21925114 0.79 POLB (0.39) POLB
SCHEMBL15868301 0.79 POLB (0.46) POLBALDH1A1NPC1RAB9AS1PR1
SCHEMBL15929742 0.79 POLB (0.41) POLBPTGS2PTGS1ALDH1A1HTT
SCHEMBL29431582 0.79 POLB (0.41) POLBPTGS2PTGS1ALDH1A1HTT

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