SCHEMBL3994258

SCHEMBL3994258

CCCCCCCCCCCCSc1nnc(Sc2nccnc2C#N)s1.CCCCCSc1nnc(Sc2nccnc2C#N)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
CHRM1 P11229 5/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM3 P20309 2/20 0.32
ALOX15 P16050 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL1719471 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AHSD17B10HTTL3MBTL1
SCHEMBL1719407 0.99 ALDH1A1 (0.45) ALDH1A1KMT2AHSD17B10HTTL3MBTL1
SCHEMBL1719387 0.95 ALDH1A1 (0.40) ALDH1A1KMT2AHSD17B10HTTL3MBTL1
SCHEMBL1720086 0.90 SMN1; SMN2 (0.40) ALDH1A1KMT2AHSD17B10HTTTSHR
SCHEMBL1719815 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AHSD17B10TSHRKDM4E
SCHEMBL1720297 0.81 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL1719384 0.79 KMT2A (0.35) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL1719442 0.77 MAPT (0.30) KMT2AMAPT
SCHEMBL1719852 0.76 TSHR (0.35) ALDH1A1KMT2AHTTL3MBTL1TSHR
SCHEMBL6990452 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037928-A2 METHODS FOR TREATING ATHEROSCLEROSIS Amgen Inc. (US) 2009-03-25 EP claimed
WO-2008002591-A2 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2008-01-03 WO claimed