SCHEMBL6992257

SCHEMBL6992257

CCCSc1nnc(Sc2nccnc2N)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.92 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6994384 0.88 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6989319 0.81 ALDH1A1 (0.35) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6987163 0.80 MAPT (0.38) MAPTPTGS1PTGS2ICAM1SELE
SCHEMBL1720086 0.79 SMN1; SMN2 (0.40) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6989328 0.78 ALDH1A1 (0.43) MAPTALDH1A1ICAM1SELEVCAM1
SCHEMBL6991176 0.76 ICAM1 (0.43) MAPTALDH1A1LMNATP53HSD17B10
SCHEMBL6987084 0.76 LMNA (0.50) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6988762 0.73 MAPT (0.38) MAPTICAM1SELEVCAM1
SCHEMBL1719387 0.71 ALDH1A1 (0.40) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA

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 1 patent. 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