SCHEMBL9850416

SCHEMBL9850416

COc1ccccc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 2/20 0.59
HTT P42858 2/20 0.59
PTBP1 P26599 1/20 0.59
RAB9A P51151 3/20 0.54
POLB P06746 3/20 0.54
SLC40A1 Q9NP59 1/20 0.54
HTR1A P08908 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
CHRM2 P08172 1/20 0.52
BRD4 O60885 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
STK10 O94804 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
SCHEMBL9850403 0.90 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL9850493 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9850488 0.82 MAPT (0.54) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL522650 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17754983 0.81 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9850257 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL17755176 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9850386 0.80 MEN1 (0.64) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9850473 0.79 CHRM2 (0.59) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9850448 0.79 ADRA1A (0.53) MEN1KMT2AALDH1A1MAPTHPGD

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed