SCHEMBL21985371

SCHEMBL21985371

CC[S+]([O-])c1cc(C(F)(F)F)cnc1-c1nc2cc(Cl)nnc2n1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ CRHR1 P34998 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ RECQL P46063 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL31501062 0.85 NPC1 (0.33) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL15868304 0.84 POLB (0.42) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL17609333 0.83 POLB (0.40) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL14677434 0.83 POLB (0.42) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL15868311 0.81 POLB (0.41) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL30951760 0.80 POLB (0.40) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL31476290 0.80 POLB (0.40) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL30951759 0.80 POLB (0.40) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL15870400 0.80 POLB (0.40) POLBALDH1A1RAB9ANPC1MEN1
SCHEMBL24313964 0.80 LRRK2 (0.30) —

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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