SCHEMBL2950546

SCHEMBL2950546

CS(=O)(=O)N1CCCC(c2nc3c(N)nc(N)nc3[nH]2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
AXL P30530 5/20 0.36
BTK Q06187 1/20 0.36
PARP1 P09874 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
HTT P42858 1/20 0.35
MAP3K12 Q12852 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2948866 0.85 PARP1 (0.39) KMT2APARP1HTT
SCHEMBL17352600 0.77 KDM4E (0.38) LMNASMN1; SMN2PARP1ALDH1A1MAPK1
SCHEMBL2954548 0.75 KDM4E (0.40) ALDH1A1HPGDHSD17B10MAPT
SCHEMBL15941616 0.73 MAPT (0.33) PARP1ALDH1A1TSHRHPGDMAPT
SCHEMBL2953203 0.69 PDE8B (0.34)
SCHEMBL2950550 0.67 CYP1A2 (0.50) SMN1; SMN2BTKTSHR
SCHEMBL2952916 0.67
SCHEMBL2949856 0.67 DHFR (0.33)
SCHEMBL28301992 0.66 PARP1 (0.43) PARP1
SCHEMBL2950064 0.65 HRH3 (0.36) AXLPARP1JAK2JAK1JAK3

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed