SCHEMBL15535827

SCHEMBL15535827

CCCCn1c(O)c(C(=O)C(N)C(=O)O)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 4/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
KCNH2 Q12809 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL15535650 0.89 RAB9A (0.46) SMN1; SMN2PKMRAB9APOLBTSHR
SCHEMBL19267071 0.80 POLB (0.54) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL15535476 0.80 P2RX3 (0.44) SMN1; SMN2PKMRAB9AALDH1A1MEN1
SCHEMBL3420439 0.78 EGLN3 (0.64) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL15536589 0.74 NPSR1 (0.41) SMN1; SMN2PKMRAB9APOLBTSHR
SCHEMBL3419511 0.74 EGLN3 (0.62) SMN1; SMN2PKMPOLBTSHRALDH1A1
SCHEMBL15535643 0.72 ALDH1A1 (0.37) SMN1; SMN2TSHRALDH1A1LMNAMAPT
SCHEMBL3977468 0.71 SMN1; SMN2 (0.48) SMN1; SMN2PKMRAB9APOLBALDH1A1
SCHEMBL3419394 0.71 EGLN3 (0.66) SMN1; SMN2PKMRAB9APOLBALDH1A1
SCHEMBL7128852 0.70 PDE4A (0.42) SMN1; SMN2RAB9APOLBTSHRLMNA

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-2013177478-A2 TREATMENT METHOD GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-11-28 WO disclosed