SCHEMBL21765682

SCHEMBL21765682

O=C(CBr)N1Cc2cc3c(cc2C1)CN(C(=O)CBr)C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
NOTUM Q6P988 1/20 0.34
AOC3 Q16853 1/20 0.34
DPP9 Q86TI2 3/20 0.33
KMT2A Q03164 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 4/20 0.32

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
SCHEMBL30684991 0.88 DPP9 (0.38) NAMPTDPP9KMT2ADPP8DPP7
SCHEMBL24815803 0.83 NOTUM (0.55) NAMPTNOTUMDPP9KMT2ADPP8
SCHEMBL30684946 0.82 DPP9 (0.55) NAMPTDPP9DPP8DPP7HSP90B1
SCHEMBL30685160 0.82 DPP8 (0.52) NAMPTDPP9KMT2ADPP8DPP7
SCHEMBL30685013 0.78 ESR1 (0.52) NAMPTHSP90AA1ABHD6
SCHEMBL21765690 0.77 BLM (0.43) NAMPTNOTUMDPP9KMT2ADPP8
SCHEMBL29986944 0.74 AOC3 (0.62) NAMPTAOC3KDM4EALDH1A1HPGD
SCHEMBL24817150 0.74 AOC3 (0.62) NAMPTAOC3KDM4EALDH1A1HPGD
SCHEMBL15975450 0.73 MEN1 (0.53) NOTUMDPP9KMT2ADPP8DPP7
SCHEMBL23518496 0.72 HDAC6 (0.41) NAMPTNOTUMDPP9DPP8DPP7

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed