SCHEMBL9850449

SCHEMBL9850449

N#Cc1cccnc1NCCNCCNc1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 3/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NSD2 O96028 1/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLO1 Q04760 3/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9850394 0.90 SLC40A1 (0.55) SLC40A1MEN1KMT2AALDH1A1MAPT
SCHEMBL9850379 0.86 NPC1 (0.46) SLC40A1NPC1RAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL9850493 0.84 MEN1 (0.52) SLC40A1MEN1KMT2AALDH1A1MAPT
SCHEMBL9850506 0.81 HTR1A (0.48) SLC40A1NPC1RAB9AMEN1KMT2A
SCHEMBL9850687 0.81 SLC40A1 (0.48) SLC40A1NPC1RAB9AMEN1KMT2A
SCHEMBL522650 0.79 MEN1 (0.59) SLC40A1MEN1KMT2AALDH1A1MAPT
SCHEMBL9850383 0.79 KMT2A (0.46) SLC40A1NPC1RAB9AMEN1KMT2A
SCHEMBL9850403 0.78 MEN1 (0.57) SLC40A1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9850592 0.76 BCHE (0.52) SLC40A1NPC1RAB9AMEN1KMT2A
SCHEMBL9850257 0.76 MEN1 (0.51) SLC40A1NPC1RAB9AMEN1KMT2A

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