SCHEMBL6990637

SCHEMBL6990637

C=CCSc1nnc(Sc2nccnc2N)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 3/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6994384 0.81 ALDH1A1 (0.50) TSHRALDH1A1RAB9AHPGDMAPT
SCHEMBL1719852 0.80 TSHR (0.35) TSHRALDH1A1RAB9AKDM4EHPGD
SCHEMBL6992257 0.78 MAPT (0.42) ALDH1A1RAB9AHPGDMAPTHTT
SCHEMBL6989319 0.77 ALDH1A1 (0.35) ALDH1A1RAB9AKDM4EMAPTNPC1
SCHEMBL6990452 0.76 ALDH1A1 (0.49) ALDH1A1RAB9AHPGDMAPTHTT
SCHEMBL2358144 0.76 MAPT (0.46) TSHRALDH1A1RAB9AKDM4EHPGD
SCHEMBL6987163 0.75 MAPT (0.38) MAPT
SCHEMBL6987084 0.75 LMNA (0.50) TSHRALDH1A1RAB9AKDM4EHPGD
SCHEMBL6991176 0.72 ICAM1 (0.43) ALDH1A1RAB9AMAPTNPC1TP53
SCHEMBL6988762 0.72 MAPT (0.38) MAPT

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