SCHEMBL5206828

SCHEMBL5206828

Nc1ncc(Oc2ccc(Br)cc2)c(NCCO)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
LMNA P02545 3/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 4/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5205294 0.87 MMP13 (0.40) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL5205013 0.87 KCNH2 (0.40) MAPTICAM1SELEKMT2AMEN1
SCHEMBL1375252 0.85 MAPT (0.41) MAPTLMNAICAM1SELEKMT2A
SCHEMBL1376217 0.80 NUDT1 (0.43) MAPTLMNAKMT2AMEN1NPSR1
SCHEMBL5202871 0.79 STK17A (0.42) MAPTLMNAKMT2AMEN1NPSR1
SCHEMBL1376082 0.78 STK17A (0.41) MAPTLMNAKMT2AMEN1NPSR1
SCHEMBL1376097 0.78 STK17A (0.41) MAPTLMNAKMT2AMEN1NPSR1
SCHEMBL5204559 0.78 STK17A (0.41) MAPTLMNAKMT2AMEN1NPSR1
SCHEMBL7708449 0.77 NPC1 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL23472667 0.76 TNF (0.49) HTTTSHRUSP2L3MBTL1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed