SCHEMBL21626409

SCHEMBL21626409

CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C#N)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.63
▸ PTBP1 P26599 1/20 0.63
▸ HTR2B P41595 2/20 0.58
▸ MAPT P10636 2/20 0.55
▸ GRM4 Q14833 1/20 0.51
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ THRB P10828 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL23677168 0.86 CA1 (0.54) LMNAHTR2BGRM4SIRT2SMN1; SMN2
SCHEMBL23677229 0.84 LMNA (0.68) LMNAPTBP1HTR2BMAPTSMN1; SMN2
SCHEMBL28912296 0.83 LMNA (0.44) LMNAPTBP1HTR2BMAPTGRM4
SCHEMBL21844863 0.81 KCNK3 (0.61) GRM4POLBMEN1KMT2AKDM4E
SCHEMBL15280081 0.81 SIRT2 (0.53) LMNAHTR2BMAPTGRM4SIRT2
SCHEMBL17115728 0.80 HTR2B (0.76) LMNAPTBP1HTR2BMAPTGRM4
SCHEMBL15280019 0.78 KMT2A (0.58) LMNAMAPTSIRT2SMN1; SMN2MEN1
SCHEMBL15573600 0.78 HTR2B (0.77) LMNAPTBP1HTR2BMAPTSMN1; SMN2
SCHEMBL23677167 0.76 HTR2B (0.54) LMNAHTR2BMAPTGRM4SMN1; SMN2
SCHEMBL10153815 0.76 ACLY (0.53) LMNASMN1; SMN2ALDH1A1GAA

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
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
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