SCHEMBL5203455

SCHEMBL5203455

Nc1ncc(Oc2ccc(Cl)cc2Cl)c(NCCO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.40
HPGD P15428 3/20 0.40
SLC6A2 P23975 3/20 0.40
LMNA P02545 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
HSPA5 P11021 1/20 0.40
CBR1 P16152 1/20 0.40
TBXA2R P21731 1/20 0.40
AGTR1 P30556 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BCL6 P41182 1/20 0.39
S1PR4 O95977 2/20 0.39
POLB P06746 3/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL5207181 0.88 BCL6 (0.40) SLC6A2SLC6A3BCL6POLBSLC6A4
SCHEMBL5207953 0.88 SLC6A2 (0.44) SLC6A2SLC6A3POLBSLC6A4L3MBTL1
SCHEMBL5206090 0.88 BCL6 (0.42) SLC6A2SLC6A3MAPTBCL6SLC6A4
SCHEMBL5205013 0.84 KCNH2 (0.40) HPGDMAPTPTGS1PTGS2POLB
SCHEMBL6482628 0.78 BCL6 (0.44) TTRHPGDSLC6A2LMNASLC6A3
SCHEMBL1376217 0.77 NUDT1 (0.43) LMNAMAPT
SCHEMBL5202871 0.76 STK17A (0.42) LMNAMAPT
SCHEMBL5204559 0.75 STK17A (0.41) LMNAMAPT
SCHEMBL1376082 0.75 STK17A (0.41) LMNAMAPT
SCHEMBL1376097 0.75 STK17A (0.41) LMNAMAPT

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