SCHEMBL20634543

SCHEMBL20634543

CC[S+]([O-])c1cc(C(F)(F)F)cnc1-c1nc2cc(SCc3ccc(OC)cc3)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.34
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ CKS1B P61024 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2E1 P05181 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 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
SCHEMBL20610180 0.83 FABP3 (0.35) CNR2FABP3FABP4DAOKDM4E
SCHEMBL20847510 0.82 POLB (0.32) POLB
SCHEMBL20635902 0.81 POLB (0.32) POLB
SCHEMBL24369944 0.78 POLB (0.32) POLB
SCHEMBL20635346 0.78 POLB (0.32) POLB
SCHEMBL31501062 0.77 NPC1 (0.33) POLBRAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL20628411 0.77 POLB (0.32) POLBRAB9AALDH1A1MEN1KMT2A
SCHEMBL14678192 0.77 AGPAT2 (0.36) CNR2KDM4ETDP1POLBCYP1A2
SCHEMBL15868314 0.76 ACSS2 (0.36) KDM4EMAPTPOLBRAB9AALDH1A1
SCHEMBL22201188 0.76 PTGS2 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019008115-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-01-10 — — WO disclosed
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