SCHEMBL751076

SCHEMBL751076

CC(=O)/C=C/c1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
PTK2 Q05397 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
STAT1 P42224 1/20 0.41

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
SCHEMBL753041 0.83 NFE2L2 (0.49) NFE2L2SMN1; SMN2LMNAKDM4EPTK2
SCHEMBL1124256 0.83 NFE2L2 (0.49) NFE2L2SMN1; SMN2LMNAKDM4EPTK2
SCHEMBL3310811 0.81 NFE2L2 (0.47) NFE2L2SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL732497 0.77 TRPA1 (0.43) NFE2L2SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL9944607 0.76 MAPT (0.46) SMN1; SMN2LMNAMAPTKDM4ECYP1A2
SCHEMBL9944613 0.75 KDM4E (0.45) SMN1; SMN2LMNAMAPTKDM4ECYP1A2
SCHEMBL27640623 0.75 PTK2 (0.49) NFE2L2SMN1; SMN2PTK2TDP1L3MBTL1
Trifluoroacetic Acid SCHEMBL732103 0.75 NFE2L2 (0.42) NFE2L2SMN1; SMN2LMNAKDM4ECYP1A2
Trifluoroacetic Acid SCHEMBL732105 0.75 NFE2L2 (0.42) NFE2L2SMN1; SMN2LMNAKDM4ECYP1A2
SCHEMBL74727 0.74 NFE2L2 (0.50) NFE2L2PTK2TDP1L3MBTL1

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
US-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed