SCHEMBL27515328

SCHEMBL27515328

COC(=O)[CH]c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 3/20 0.55
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A1 P04798 6/20 0.49
CYP1A2 P05177 6/20 0.49
CYP1B1 Q16678 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
PFKFB3 Q16875 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFE2L2 Q16236 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
SCHEMBL2184878 0.83 KDM4E (0.67) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL16585159 0.83 KDM4E (0.67) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL2184876 0.83 KDM4E (0.67) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL8133474 0.81 MAPT (0.47) SMN1; SMN2LMNAMAPTKDM4ENPC1
Acrylic Acid Methyl Ester SCHEMBL30663418 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL3225999 0.77 MAPT (0.78) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL3092733 0.77 MAPT (0.58) SMN1; SMN2LMNAMAPTKDM4EHTT
SCHEMBL294835 0.77 TSHR (0.46) SMN1; SMN2LMNAMAPTALDH1A1CYP1A2
SCHEMBL5745570 0.75 MAPT (0.65) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL5745572 0.75 MAPT (0.65) SMN1; SMN2LMNAMAPTKDM4ENPC1

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
CN-1185154-A Bicyclic amines as insecticides ZENECA LTD (GB) 1998-06-17 CN disclosed