SCHEMBL3395752

SCHEMBL3395752

[CH2]C(=O)CNCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
CHRM2 P08172 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 3/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 3/20 0.48
RECQL P46063 1/20 0.48
ALOX15 P16050 2/20 0.48
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL29832698 0.86 SMN1; SMN2 (0.62) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL472123 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL3398272 0.83 DPP7 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL1303746 0.83 SMN1; SMN2 (0.59) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL12831873 0.83 SMN1; SMN2 (0.59) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL13793636 0.80 SMN1; SMN2 (0.56) SMN1; SMN2CHRM2KDM4EALDH1A1NPC1
SCHEMBL14067286 0.80 CHRM2 (0.61) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL11569803 0.79 CHRM2 (0.53) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL29438821 0.79 CHRM2 (0.70) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1
SCHEMBL230222 0.79 CHRM2 (0.70) SMN1; SMN2CHRM2KDM4EALDH1A1MEN1

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-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed