SCHEMBL5202073

SCHEMBL5202073

CCc1ccc(Oc2cncnc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NPBWR1 P48145 3/20 0.38
MCHR1 Q99705 2/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL11787237 0.78 GAA (0.41) ICAM1SELESMN1; SMN2ALDH1A1LMNA
SCHEMBL4354057 0.72 AOC3 (0.47) L3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL24711387 0.72 SLC6A4 (0.55) PTGS1PTGS2
SCHEMBL9102850 0.70 NPSR1 (0.49) L3MBTL1TDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL475215 0.69 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL8925998 0.69 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
SCHEMBL11419701 0.68 LPAR1 (0.52) L3MBTL1TDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3081479 0.68
SCHEMBL2056280 0.68 MAOB (0.52) L3MBTL1TDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31579782 0.68 SMN1; SMN2 (0.54) L3MBTL1TDP1SMN1; SMN2ALDH1A1NPBWR1

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