SCHEMBL2777948

SCHEMBL2777948

CNC(=O)C1CC1c1cnc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LPAR2 Q9HBW0 1/20 0.42
HDAC4 P56524 1/20 0.42
MGAM O43451 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ITK Q08881 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
DEGS1 O15121 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL1225412 0.87 ALDH1A1 (0.58) SLC6A4SMN1; SMN2LMNAL3MBTL1LPAR2
SCHEMBL10288441 0.83 SLC6A4 (0.52) SLC6A4SMN1; SMN2LMNAL3MBTL1MGAM
SCHEMBL2135499 0.83 SLC6A4 (0.52) SLC6A4SMN1; SMN2LMNAL3MBTL1MGAM
SCHEMBL2135495 0.83 SLC6A4 (0.52) SLC6A4SMN1; SMN2LMNAL3MBTL1MGAM
SCHEMBL12881257 0.79 SMN1; SMN2 (0.60) SMN1; SMN2LMNAL3MBTL1KDM4ECYP1A2
SCHEMBL2136056 0.79 SLC6A4 (0.51) SLC6A4SMN1; SMN2LMNAMGAMKDM4E
SCHEMBL15799376 0.79 SLC6A4 (0.51) SLC6A4SMN1; SMN2LMNAMGAMKDM4E
SCHEMBL15805082 0.79 SLC6A4 (0.51) SLC6A4SMN1; SMN2LMNAMGAMKDM4E
SCHEMBL2136050 0.79 SLC6A4 (0.51) SLC6A4SMN1; SMN2LMNAMGAMKDM4E
SCHEMBL1223824 0.78 SLC6A4 (0.53) SLC6A4SMN1; SMN2MGAMKDM4EALDH1A1

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-2010132615-A1 HYDRAZONE COMPOUNDS AND THEIR USE STEIN PHILIP (US) 2010-11-18 WO disclosed