SCHEMBL7714115

SCHEMBL7714115

CC(O)OCCNc1nc(N)ncc1Oc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 1/20 0.38
KCNH2 Q12809 3/20 0.36
SCN9A Q15858 3/20 0.36
SCN5A Q14524 2/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
MAPT P10636 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5207386 0.87 STK17A (0.42) STK17AKCNH2SCN9ASCN5ACCNC
SCHEMBL7163367 0.86 RAB9A (0.42) STK17AKCNH2SCN9ASCN5AMAPT
SCHEMBL1375420 0.84 KCNH2 (0.38) STK17AKCNH2SCN9ASCN5ACCNC
Hydrochloric Acid SCHEMBL5205951 0.84 KCNH2 (0.40) STK17AKCNH2SCN9ASCN5ACCNC
SCHEMBL5205013 0.83 KCNH2 (0.40) STK17AKCNH2SCN9ASCN5ACCNC
SCHEMBL7708449 0.83 NPC1 (0.45) STK17AKCNH2SCN9ASCN5ACCNC
SCHEMBL5204141 0.82 KCNH2 (0.36) STK17AKCNH2SCN9ASCN5ACCNC
Hydrochloric Acid SCHEMBL7714006 0.82 KDM4E (0.44) STK17AKCNH2SCN9ASCN5ACCNC
SCHEMBL1375549 0.82 STK17A (0.46) STK17AKCNH2SCN9ASCN5AMAPT
SCHEMBL1376217 0.81 NUDT1 (0.43) STK17AKCNH2SCN9ASCN5ACCNC

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
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed