SCHEMBL10109809

SCHEMBL10109809

C=C/C=C\c1c(C[C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)CN2C(=O)OCc2ccccc2)c[nH]c1N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NT5E P21589 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
ATM Q13315 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
FOLH1 Q04609 1/20 0.32
CCR5 P51681 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL13787024 0.85 CTSK (0.35) POLB
SCHEMBL820248 0.80 BCHE (0.39) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL13787023 0.80 BCHE (0.39) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL379870 0.80 BCHE (0.39) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL10860763 0.76 POLB (0.48) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL10368703 0.76 POLB (0.48) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL10367964 0.75 POLB (0.48) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL10860120 0.75 POLB (0.48) BCHERAB9ANPC1SMN1; SMN2POLB
SCHEMBL10390427 0.75 POLB (0.45) BCHERAB9ASMN1; SMN2POLBMAPT
SCHEMBL10863400 0.72 POLB (0.46) BCHERAB9ANPC1SMN1; SMN2POLB

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
EP-2409984-A1 Dimeric IAP Antagonists TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2012-01-25 EP disclosed