SCHEMBL13007600

SCHEMBL13007600

CC(=O)CCCNc1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
FDPS P14324 1/20 0.39
MAPK8 P45983 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDPK1 O15530 1/20 0.36
MTNR1A P48039 1/20 0.35

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
SCHEMBL5848939 0.83 ALDH1A1 (0.56) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL6670720 0.78 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL25056999 0.76 ALDH1A1 (0.61) ALDH1A1LMNAHTTHPGDHSD17B10
SCHEMBL17234481 0.75 ALDH1A1 (0.60) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL6490227 0.74 ALDH1A1 (0.65) ALDH1A1HPGDNPC1MAPK8
SCHEMBL1268978 0.74 ALDH1A1 (0.65) ALDH1A1HTTHPGDNPC1RAB9A
SCHEMBL18794901 0.73 ALDH1A1 (0.52) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL5509361 0.73 ALDH1A1 (0.52) ALDH1A1LMNAHTTHPGDMEN1
SCHEMBL6498162 0.73 ALDH1A1 (0.43) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL23107659 0.72 ALDH1A1 (0.62) ALDH1A1LMNAHTTHPGDKMT2A

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-1723255-B1 METHOD FOR ENRICHMENT INVOLVING ELIMINATION BY MISMATCH HYBRIDISATION NUEVOLUTION AS (DK) 2010-12-29 EP disclosed