SCHEMBL5207653

SCHEMBL5207653

Nc1ncc(Oc2ccc(Cl)cc2Cl)c(NC2(O)CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
HPGD P15428 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
TTR P02766 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HSPA5 P11021 1/20 0.37
CBR1 P16152 1/20 0.37
TBXA2R P21731 1/20 0.37
AGTR1 P30556 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTGS1 P23219 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
SCHEMBL5202529 0.89 MET (0.41) SLC6A2SLC6A3SLC6A4KDRP2RX3
SCHEMBL5206507 0.89 SLC6A2 (0.39) POLBHPGDMAPTLMNASLC6A2
SCHEMBL5203877 0.89 NPC1 (0.36) SLC6A2SLC6A3SLC6A4NPC1RAB9A
SCHEMBL5207523 0.85 CCNC (0.39) HPGDMAPTALDH1A1CYP2C9SMN1; SMN2
SCHEMBL5206305 0.76 MAPT (0.33) MAPTLMNAALDH1A1PTGS1PTGS2
SCHEMBL5207644 0.76 MAPT (0.35) POLBHPGDMAPTLMNAALDH1A1
SCHEMBL5203455 0.75 TTR (0.40) POLBHPGDMAPTLMNATTR
SCHEMBL6482628 0.74 BCL6 (0.44) POLBHPGDMAPTLMNATTR
SCHEMBL5203220 0.74 MERTK (0.39) POLBHPGDMAPTLMNATTR
SCHEMBL5203216 0.74 MERTK (0.39) POLBHPGDMAPTLMNATTR

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