SCHEMBL8916767

SCHEMBL8916767

CC(C)NC1NCCNC1c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
CTH P32929 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
HIF1A Q16665 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL8917001 0.86 KDM4E (0.33) KDM4EHSD17B10ALDH1A1MAPTCTH
SCHEMBL8916086 0.79 LMNA (0.32) HIF1AGAANISCH
SCHEMBL8917889 0.77 CTH (0.34) KDM4EHSD17B10ALDH1A1MAPTCTH
SCHEMBL8919141 0.74 CTH (0.31) KDM4EALDH1A1MAPTCTHDDB1
SCHEMBL8916129 0.74 MDM2 (0.34) KDM4EALDH1A1MAPTCTHDDB1
SCHEMBL8916653 0.73 SLC2A1 (0.36) KDM4EALDH1A1MAPTCTHDDB1
SCHEMBL20840578 0.73 DDB1 (0.40) KDM4EALDH1A1MAPTCTHDDB1
SCHEMBL29743006 0.73 DDB1 (0.40) KDM4EALDH1A1MAPTCTHDDB1
SCHEMBL8917578 0.72 ALDH1A1 (0.42) KDM4EHSD17B10ALDH1A1MAPTKMT2A
SCHEMBL8918459 0.71 ALDH1A1 (0.36) KDM4EHSD17B10ALDH1A1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US claimed
US-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed