SCHEMBL6989328

SCHEMBL6989328

CCCCc1nnc(Sc2nccnc2N)s1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ICAM1 P05362 2/20 0.34
SELE P16581 2/20 0.34
VCAM1 P19320 2/20 0.34
POLB P06746 1/20 0.34
TLR7 Q9NYK1 4/20 0.33
TLR8 Q9NR97 3/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.31
NOS2 P35228 1/20 0.30

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
SCHEMBL6990452 0.82 ALDH1A1 (0.49) ALDH1A1ICAM1SELEVCAM1POLB
SCHEMBL1720297 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6992257 0.78 MAPT (0.42) ALDH1A1ICAM1SELEVCAM1MAPT
SCHEMBL6994384 0.78 ALDH1A1 (0.50) ALDH1A1ICAM1SELEVCAM1MAPT
SCHEMBL6987163 0.75 MAPT (0.38) ICAM1SELEVCAM1MAPT
SCHEMBL6991176 0.75 ICAM1 (0.43) ALDH1A1ICAM1SELEVCAM1POLB
SCHEMBL8043809 0.74 FBP1 (0.42) ALDH1A1POLB
SCHEMBL6988762 0.72 MAPT (0.38) ICAM1SELEVCAM1MAPT
SCHEMBL6989319 0.71 ALDH1A1 (0.35) ALDH1A1ICAM1SELEVCAM1MAPT
SCHEMBL8044324 0.70 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452683-A2 Methods for treating atherosclerosis Amgen Inc. (US) 2012-05-16 EP disclosed
EP-2037928-B1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2012-01-11 EP disclosed
WO-2008002591-A2 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2008-01-03 WO disclosed