SCHEMBL6989319

SCHEMBL6989319

CC(C)CSc1nnc(Sc2nccnc2N)s1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.33
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
VCAM1 P19320 1/20 0.32

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
SCHEMBL6994384 0.84 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6992257 0.81 MAPT (0.42) ALDH1A1NPC1RAB9AGAASMN1; SMN2
SCHEMBL1719384 0.80 KMT2A (0.35) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL6990452 0.79 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6987163 0.79 MAPT (0.38) MAPTICAM1SELEVCAM1
SCHEMBL6990637 0.77 TSHR (0.37) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL19726462 0.76 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL6991176 0.75 ICAM1 (0.43) ALDH1A1NPC1RAB9AGAAMAPT
SCHEMBL6987084 0.75 LMNA (0.50) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL6988762 0.72 MAPT (0.38) MAPTICAM1SELEVCAM1

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