SCHEMBL29993414

SCHEMBL29993414

COC(=O)[C@H]1CCN(c2ccc(C(C)=O)c(F)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CREBBP Q92793 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ACACB O00763 2/20 0.38
▸ TMPRSS15 P98073 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL24238657 1.00 MEN1 (0.47) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL24238678 0.86 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29993116 0.86 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL22680141 0.84 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL22045425 0.79 GRM1 (0.47) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL22680196 0.76 KDM4E (0.48) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29429460 0.76 KDM4E (0.48) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL25276294 0.75 MEN1 (0.48) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL22680185 0.74 LMNA (0.46) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29429469 0.74 LMNA (0.46) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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-3887372-B1 FURTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-10-12 — — EP disclosed
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