SCHEMBL4010249

SCHEMBL4010249

O=C(OCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 1/20 0.57
LIN28A Q9H9Z2 1/20 0.57
LMNA P02545 4/20 0.46
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAOA P21397 1/20 0.43
HTR3A P46098 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL4014798 0.92 TDP1 (0.54) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL28826273 0.83 SMN1; SMN2 (0.60) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL4008815 0.83 SMN1; SMN2 (0.60) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL4005562 0.81 SMN1; SMN2 (0.54) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL4015320 0.81 ALDH1A1 (0.57) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL4016056 0.81 SMN1; SMN2 (0.57) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL502025 0.80 TDP1 (0.68) SMN1; SMN2TDP1LMNASCN1ASCN2A
SCHEMBL27215944 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TDP1MAPTLIN28ALMNA
SCHEMBL4015185 0.79 TDP1 (0.57) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL12807575 0.78 MAPT (0.54) SMN1; SMN2TDP1MAPTLIN28ALMNA

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