SCHEMBL4014798

SCHEMBL4014798

O=C(OCCN(Cc1ccccn1)Cc1ccccn1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
LIN28A Q9H9Z2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 3/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 1/20 0.41
HTR3A P46098 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
SCHEMBL4010249 0.92 SMN1; SMN2 (0.57) TDP1SMN1; SMN2MAPTLIN28ALMNA
SCHEMBL4008815 0.81 SMN1; SMN2 (0.60) TDP1SMN1; SMN2MAPTLIN28ALMNA
SCHEMBL28826273 0.81 SMN1; SMN2 (0.60) TDP1SMN1; SMN2MAPTLIN28ALMNA
SCHEMBL27925524 0.79 L3MBTL1 (0.54) TDP1SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL4015320 0.79 ALDH1A1 (0.57) TDP1SMN1; SMN2MAPTLIN28AL3MBTL1
SCHEMBL4016056 0.78 SMN1; SMN2 (0.57) TDP1SMN1; SMN2MAPTLIN28ALMNA
SCHEMBL27215944 0.77 SMN1; SMN2 (0.55) TDP1SMN1; SMN2MAPTLIN28ALMNA
SCHEMBL12807575 0.76 MAPT (0.54) TDP1SMN1; SMN2MAPTLIN28ALMNA
SCHEMBL4005562 0.76 SMN1; SMN2 (0.54) TDP1SMN1; SMN2MAPTLIN28AL3MBTL1
SCHEMBL28309223 0.74 SMN1; SMN2 (0.51) TDP1SMN1; SMN2MAPTLIN28AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed