SCHEMBL8498702

SCHEMBL8498702

C=C(CO)CCNc1ncnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
LMNA P02545 5/20 0.60
HTT P42858 5/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
EGFR P00533 4/20 0.57
MAPK1 P28482 2/20 0.57
APP P05067 2/20 0.57
LDHA P00338 1/20 0.56
GAA P10253 4/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.55
ALPG P10696 1/20 0.55
S1PR2 O95136 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GALR3 O60755 2/20 0.52
NR2F2 P24468 2/20 0.52
TSHR P16473 1/20 0.51
CYP1A2 P05177 1/20 0.49

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
SCHEMBL8506287 0.82 HTT (0.59) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL29898477 0.82 LMNA (0.75) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL1520577 0.82 LMNA (0.75) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL29898476 0.82 LMNA (0.75) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL13283188 0.79 L3MBTL1 (0.65) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL9608005 0.78 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL10339204 0.77 LMNA (0.97) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL4980648 0.76 EGFR (0.62) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL12199178 0.75 SMN1; SMN2 (0.77) SMN1; SMN2LMNAHTTMAPTKMT2A
SCHEMBL8489605 0.75 LMNA (0.58) SMN1; SMN2LMNAHTTMAPTKMT2A

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
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed