SCHEMBL18102984

SCHEMBL18102984

CC(Oc1c(O)cccc1/C=C1/SC(=S)NC1=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 6/20 0.59
▸ PDE4B Q07343 1/20 0.56
▸ PIM1 P11309 3/20 0.48
▸ MAOB P27338 1/20 0.47
▸ CISD1 Q9NZ45 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ PTP4A3 O75365 1/20 0.46

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
SCHEMBL19999080 0.87 PDE4B (0.72) NAT1PDE4BPIM1MAOBCISD1
SCHEMBL18103030 0.83 PDE4B (0.75) NAT1PDE4BPIM1MAOBCISD1
Acetic Acid SCHEMBL5132123 0.77 NAT1 (0.67) NAT1PDE4BPIM1MAOBCISD1
SCHEMBL1449166 0.76 NAT1 (0.74) NAT1PDE4BPIM1MAOBCISD1
SCHEMBL18102942 0.76 NAT1 (0.78) NAT1PDE4BPIM1GSK3BPTP4A3
SCHEMBL3425968 0.76 NAT1 (1.00) NAT1PIM1GSK3BPTP4A3CA2
SCHEMBL3425971 0.76 NAT1 (1.00) NAT1PIM1GSK3BPTP4A3CA2
SCHEMBL15421702 0.76 NAT1 (1.00) NAT1PIM1GSK3BPTP4A3CA2
SCHEMBL18102921 0.75 KMT2A (0.63) NAT1PDE4BALDH1A1KMT2AGSK3B
SCHEMBL18102951 0.74 NAT1 (0.74) NAT1PDE4BPIM1GSK3BPTP4A3

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-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO disclosed
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