SCHEMBL5204559

SCHEMBL5204559

Nc1ncc(Oc2ccc(Cl)cc2)c(NCCCCCO)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.41
PDE5A O76074 1/20 0.40
LMNA P02545 3/20 0.39
NUDT1 P36639 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SCN9A Q15858 4/20 0.38
KCNH2 Q12809 3/20 0.38
SCN5A Q14524 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK9 P50750 1/20 0.37
STK17B O94768 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1376082 1.00 STK17A (0.41) STK17APDE5ALMNANUDT1MEN1
SCHEMBL1376097 1.00 STK17A (0.41) STK17APDE5ALMNANUDT1MEN1
SCHEMBL5202871 0.99 STK17A (0.42) STK17APDE5ALMNANUDT1MEN1
SCHEMBL1376217 0.95 NUDT1 (0.43) STK17ALMNANUDT1MEN1KMT2A
SCHEMBL5205013 0.90 KCNH2 (0.40) STK17AMEN1KMT2ASCN9AKCNH2
SCHEMBL7708449 0.85 NPC1 (0.45) STK17AMEN1KMT2ASCN9AKCNH2
SCHEMBL5207386 0.84 STK17A (0.42) STK17AMEN1KMT2ASCN9AKCNH2
Hydrochloric Acid SCHEMBL7714006 0.84 KDM4E (0.44) STK17AMEN1KMT2ASCN9AKCNH2
SCHEMBL1375420 0.84 KCNH2 (0.38) STK17ALMNAMEN1KMT2ASCN9A
SCHEMBL1375549 0.84 STK17A (0.46) STK17ALMNAMEN1KMT2ASCN9A

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 4 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
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed