SCHEMBL6994384

SCHEMBL6994384

CCSc1nnc(Sc2nccnc2N)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL6992257 0.88 MAPT (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6990452 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL6989319 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AICAM1
SCHEMBL6987163 0.82 MAPT (0.38) CA1CA2CA4CA5ACA5B
SCHEMBL6991176 0.79 ICAM1 (0.43) ALDH1A1NPC1RAB9ALMNATP53
SCHEMBL6987084 0.79 LMNA (0.50) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL1719815 0.78 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL6989328 0.78 ALDH1A1 (0.43) ALDH1A1ICAM1SELEVCAM1MAPT
SCHEMBL6988762 0.76 MAPT (0.38) ICAM1SELEVCAM1MAPT
SCHEMBL1104190 0.73 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A

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