SCHEMBL5207036

SCHEMBL5207036

CCc1ccc(Oc2cnc(S)[nH]c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.39
NPBWR1 P48145 2/20 0.38
MCHR1 Q99705 2/20 0.38
SOD1 P00441 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 1/20 0.36
CISD1 Q9NZ45 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MPC2 O95563 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
PPARG P37231 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
SCHEMBL5204052 0.83 SMN1; SMN2 (0.42) KDM4CNPBWR1MCHR1SOD1ICAM1
SCHEMBL5207646 0.81 KDM4C (0.41) KDM4CSMN1; SMN2CYP2C19MAPTL3MBTL1
SCHEMBL5204190 0.74 ICAM1 (0.43) KDM4CNPBWR1MCHR1SOD1ICAM1
SCHEMBL6168942 0.71 RECQL (0.53) SMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL16919131 0.67 BRAF (0.60)
SCHEMBL475215 0.66 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2CYP2C19MAPT
SCHEMBL8925998 0.66 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2CYP2C19MAPT
SCHEMBL10569187 0.64 DAO (0.50)
SCHEMBL10490729 0.64 BRS3 (0.46) SMN1; SMN2LMNA
SCHEMBL7714536 0.63 NPBWR1 (0.41) KDM4CNPBWR1MCHR1ICAM1SELE

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 5 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 disclosed
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
EP-1165523-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000061562-A1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-19 WO disclosed