SCHEMBL21925164

SCHEMBL21925164

Cn1c(-c2ncc(C(F)(F)F)cc2[S+]([O-])c2cccs2)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ NPC1 O15118 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL21925157 0.79 POLB (0.39) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL15868304 0.76 POLB (0.42) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL21925117 0.75 KMT2A (0.41) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL21610552 0.75 POLB (0.38) POLBALDH1A1KMT2AMEN1KDM4E
SCHEMBL14677434 0.75 POLB (0.42) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL14684622 0.75 POLB (0.42) POLBALDH1A1KDM4ENPC1CASP3
SCHEMBL29431642 0.75 POLB (0.42) POLBALDH1A1KDM4ENPC1CASP3
SCHEMBL23222170 0.73 POLB (0.39) POLB
SCHEMBL23222167 0.73 POLB (0.39) POLBKDM4E
SCHEMBL16594157 0.73 POLB (0.42) POLBALDH1A1KMT2AMEN1KDM4E

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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