SCHEMBL6924869

SCHEMBL6924869

CCc1ccc(-c2ccc(Cc3ccnc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.42
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3260707 0.86 NR1H2 (0.46) MAPTNPC1RAB9APOLBTP53
SCHEMBL6924866 0.85 MAPT (0.38) MAPKAPK2MAPTNPC1RAB9APOLB
SCHEMBL28133306 0.81 NPC1 (0.56) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL27135558 0.81 MAPT (0.42) MAPTNPC1RAB9APOLBTP53
SCHEMBL8188422 0.77 PDE4B (0.46) MAPTNPC1RAB9APOLBTP53
SCHEMBL7542738 0.75 ALDH1A1 (0.39) RAB9AALDH1A1SMN1; SMN2CYP1A2HPGD
SCHEMBL18627698 0.75 L3MBTL1 (0.56) MAPTNPC1RAB9APOLBTP53
SCHEMBL4101559 0.74 SREBF2 (0.48) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL10162103 0.73 ADRB2 (0.63) MAPTNPC1RAB9APOLBTP53
SCHEMBL2914914 0.73 TP53 (0.68) MAPTNPC1RAB9ATP53ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518424-B1 Activity as inhibitors of phospholipase A2, and are useful in treating disorders mediated by phospholipase A2 and antiinflammatory agents ELAN PHARMACEUTICALS, INC. 2003-02-11 US disclosed
WO-2000027824-A1 SUBSTITUTED PYRIMIDINE COMPOSITIONS AND METHODS OF USE ELAN PHARMACEUTICALS (US) 2000-05-18 WO disclosed