SCHEMBL9850394

SCHEMBL9850394

N#Cc1ccccc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 4/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NSD2 O96028 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GLO1 Q04760 6/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL9850449 0.90 SLC40A1 (0.50) SLC40A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL9850493 0.86 MEN1 (0.52) SLC40A1MEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL9850592 0.81 BCHE (0.52) SLC40A1MEN1KMT2AKDM4EMAPT
SCHEMBL522650 0.81 MEN1 (0.59) SLC40A1MEN1KMT2AKDM4EMAPT
SCHEMBL9850257 0.81 MEN1 (0.51) SLC40A1MEN1KMT2AKDM4EMAPT
SCHEMBL9850386 0.80 MEN1 (0.64) MEN1KMT2AKDM4EMAPTNSD2
SCHEMBL9850488 0.80 MAPT (0.54) SLC40A1MEN1KMT2AKDM4EMAPT
SCHEMBL9850540 0.79 CA12 (0.53) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9850379 0.79 NPC1 (0.46) SLC40A1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL9850583 0.76 MEN1 (0.51) SLC40A1MEN1KMT2AKDM4EMAPT

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