SCHEMBL29574115

SCHEMBL29574115

CCCCOC(=O)N1CCc2n[nH]c(S)c2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
SMYD3 Q9H7B4 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CNR2 P34972 1/20 0.36
PABPC1 P11940 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G2A P14555 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 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
SCHEMBL29544081 0.79 LMNA (0.37) LMNASMN1; SMN2POLBSMYD3PTGDR2
SCHEMBL29515000 0.77 SMYD3 (0.35) LMNASMN1; SMN2POLBSMYD3PTGDR2
SCHEMBL31623568 0.76 SMYD3 (0.45) LMNASMN1; SMN2POLBSMYD3PTGDR2
SCHEMBL34473620 0.76 LMNA (0.42) LMNASMN1; SMN2POLBPTGDR2HRH2
SCHEMBL22716158 0.75 MTHFD2 (0.33)
SCHEMBL22718639 0.74 SMYD3 (0.33) LMNASMN1; SMN2POLBSMYD3PTGDR2
SCHEMBL31623601 0.73 SMYD3 (0.42) LMNASMN1; SMN2POLBSMYD3PTGDR2
SCHEMBL11401965 0.73 KDM4E (0.45) LMNASMN1; SMN2PABPC1ATMKDM4E
SCHEMBL7380124 0.72 SMN1; SMN2 (0.54) LMNASMN1; SMN2POLBSMYD3PTGDR2
SCHEMBL1444915 0.72 SMN1; SMN2 (0.61) LMNASMN1; SMN2POLBSMYD3HRH2

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-3976613-A1 AZEPINES AS HBV CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed