SCHEMBL9850403

SCHEMBL9850403

COc1cccnc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 2/20 0.57
PTBP1 P26599 1/20 0.57
HTR1A P08908 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
RAB9A P51151 4/20 0.49
SLC40A1 Q9NP59 1/20 0.49
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL9850416 0.90 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9850448 0.86 ADRA1A (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9850506 0.83 HTR1A (0.48) MEN1KMT2AMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL9850493 0.81 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9850687 0.81 SLC40A1 (0.48) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL522650 0.79 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9850383 0.79 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9850488 0.78 MAPT (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9850449 0.78 SLC40A1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17754983 0.77 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HPGD

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