SCHEMBL6826490

SCHEMBL6826490

COc1cc(OC(C)C)nc(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
EDNRB P24530 5/20 0.33
EDNRA P25101 5/20 0.33
CYP1A2 P05177 1/20 0.33
TRPA1 O75762 1/20 0.32
MAPT P10636 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
SCHEMBL12757466 0.77 LMNA (0.47) LMNASMN1; SMN2L3MBTL1EDNRBEDNRA
SCHEMBL12701526 0.77 PDE2A (0.48) LMNASMN1; SMN2L3MBTL1EDNRBEDNRA
SCHEMBL5321210 0.76 SMN1; SMN2 (0.38) LMNASMN1; SMN2L3MBTL1EDNRBEDNRA
SCHEMBL25083887 0.75 TLR7 (0.40) SMN1; SMN2GAAKRASSOS1L3MBTL1
SCHEMBL6826481 0.74 KDM4E (0.36) LMNASMN1; SMN2GAAL3MBTL1CYP1A2
SCHEMBL23704951 0.74 SMN1; SMN2 (0.37) LMNASMN1; SMN2GAAL3MBTL1CYP1A2
SCHEMBL29868118 0.74 SMN1; SMN2 (0.37) LMNASMN1; SMN2GAAL3MBTL1CYP1A2
SCHEMBL6826219 0.73 SMN1; SMN2 (0.36) LMNASMN1; SMN2L3MBTL1EDNRBEDNRA
SCHEMBL6335452 0.72 L3MBTL1 (0.48) LMNASMN1; SMN2L3MBTL1EDNRBEDNRA
SCHEMBL26699075 0.71 PDE4A (0.36) LMNAGAAL3MBTL1CYP1A2

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-2004111000-A2 PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2004-12-23 WO disclosed