SCHEMBL28296992

SCHEMBL28296992

COc1ccc(N2CCN(Cc3ccccc3)C(=O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GLA P06280 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
RGS4 P49798 1/20 0.48
RGS8 P57771 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 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
SCHEMBL20133744 0.95 SIGMAR1 (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL28710495 0.80 PTGS2 (0.46) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12944147 0.80 RET (0.44) MAPTALDH1A1MAPK1TDP1ADRA1D
SCHEMBL8913255 0.78 HDAC1 (0.67) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL11923385 0.77 SIGMAR1 (0.79) KMT2ALMNAMAPTALDH1A1MAPK1
SCHEMBL20129626 0.77 PRMT5 (0.54) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15858013 0.76 GAA (0.54) MEN1KMT2AMAPTALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL11213408 0.76 SIGMAR1 (0.77) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL20509282 0.76 HTR6 (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4359832 0.75 KDM1A (0.52) MEN1KMT2ALMNAALDH1A1NPSR1

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-109715614-A The 6 yuan of cyclammonium or lactams replaced with urea and phenyl 格吕伦塔尔有限公司 2019-05-03 CN disclosed