SCHEMBL6449516

SCHEMBL6449516

CCCCCCCCCCCCCCCC(=O)Nc1ccc2[nH]c3c(c2c1)CCCC3=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.54
KDM4E B2RXH2 7/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 4/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
DAPK3 O43293 2/20 0.48
STK17B O94768 2/20 0.48
DAPK1 P53355 2/20 0.48
STK17A Q9UEE5 2/20 0.48
DAPK2 Q9UIK4 2/20 0.48
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6070728 0.82 KDM4E (0.57) P2RY12KDM4ELMNAALDH1A1HPGD
SCHEMBL19308465 0.78 P2RY12 (0.73) P2RY12KDM4ELMNAALDH1A1HPGD
Bromide SCHEMBL8101087 0.74 HTR1B (0.45) P2RY12LMNAALDH1A1
SCHEMBL12136709 0.74 MAPT (0.65) P2RY12KDM4ELMNAALDH1A1HPGD
Bromide SCHEMBL8100818 0.73 RORC (0.43) P2RY12LMNAALDH1A1TERT
SCHEMBL7407473 0.72 HTR1F (0.65) P2RY12LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL18328447 0.72 MAPT (0.56) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL3777911 0.72 SMN1; SMN2 (0.68) P2RY12KDM4ELMNAALDH1A1MAPT
SCHEMBL3867110 0.71 MAPT (0.55) KDM4ELMNAALDH1A1HPGDHSD17B10
SCHEMBL6070716 0.71 MAPK10 (0.61) P2RY12KDM4ELMNAALDH1A1HPGD

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
EP-1599202-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-11-30 EP disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 WO disclosed