SCHEMBL9850357

SCHEMBL9850357

O=[N+]([O-])c1ccccc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.57
KMT2A Q03164 4/20 0.57
NFKBIA P25963 3/20 0.57
RELA Q04206 3/20 0.57
MEN1 O00255 3/20 0.57
OPRK1 P41145 2/20 0.57
SLC40A1 Q9NP59 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MDM4 O15151 1/20 0.57
MDM2 Q00987 1/20 0.57
MAPT P10636 8/20 0.56
NSD2 O96028 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KAT2B Q92831 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5113791 0.81 PDE10A (0.67) PDE10AKMT2ANFKBIARELAMEN1
SCHEMBL30345050 0.81 NPC1 (0.72) PDE10AKMT2ANFKBIARELAMEN1
SCHEMBL23997427 0.81 NPC1 (0.72) PDE10AKMT2ANFKBIARELAMEN1
Hydrochloric Acid SCHEMBL9850493 0.81 MEN1 (0.52) KMT2ANFKBIAMEN1SLC40A1TDP1
SCHEMBL9850428 0.80 ALDH1A1 (0.60) KMT2AMEN1MAPTKAT2BNPC1
SCHEMBL522650 0.79 MEN1 (0.59) KMT2ANFKBIAMEN1SLC40A1TDP1
SCHEMBL9850257 0.79 MEN1 (0.51) KMT2ANFKBIAMEN1SLC40A1TDP1
SCHEMBL9850488 0.78 MAPT (0.54) KMT2ANFKBIAMEN1OPRK1SLC40A1
SCHEMBL9850386 0.78 MEN1 (0.64) KMT2ARELAMEN1TDP1MAPT
SCHEMBL6198859 0.78 KAT2B (0.80) KMT2AMEN1TDP1MAPTKAT2B

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