SCHEMBL1663549

SCHEMBL1663549

Nc1ccc2[nH]c(CCO)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
KEAP1 Q14145 1/20 0.50
LOXL2 Q9Y4K0 5/20 0.42
RAD52 P43351 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
HRH4 Q9H3N8 1/20 0.38
PRMT1 Q99873 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 2/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK1 Q13464 1/20 0.38
HIF1A Q16665 1/20 0.38
MTNR1A P48039 3/20 0.38

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
SCHEMBL3578511 0.85 CYP2A6 (0.53) CYP2A6KEAP1LOXL2RAD52SIRT1
SCHEMBL6252222 0.82 CYP2A6 (0.55) CYP2A6KEAP1LOXL2SIRT1HRH4
SCHEMBL28028062 0.81 HPGD (0.52) CYP2A6KEAP1SIRT1HRH4MAPT
SCHEMBL27978584 0.79 CYP2A6 (0.51) CYP2A6KEAP1LOXL2HRH4MAPT
SCHEMBL1500849 0.79 LOXL2 (0.64) LOXL2SIRT1HRH4MAPTKDM4E
SCHEMBL7257341 0.79 CYP19A1 (0.45) CYP2A6LOXL2HRH4MTNR1AMTNR1B
SCHEMBL6252957 0.78 CYP2A6 (0.50) CYP2A6KEAP1LOXL2SIRT1HRH4
SCHEMBL28220569 0.78 CYP2A6 (0.53) CYP2A6KEAP1LOXL2SIRT1HRH4
SCHEMBL6252581 0.78 CYP2A6 (0.58) CYP2A6KEAP1LOXL2SIRT1HRH4
SCHEMBL28083588 0.77 CYP2A6 (0.53) CYP2A6KEAP1LOXL2SIRT1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed