SCHEMBL7366935

SCHEMBL7366935

O=C(O)CN1CCCSc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
MAPT P10636 8/20 0.55
TP53 P04637 4/20 0.55
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
NOTUM Q6P988 1/20 0.48
DRD4 P21917 1/20 0.47
THRB P10828 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
SCHEMBL30808595 0.91 MAPT (0.65) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL10588893 0.87 HDAC1 (0.55) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL10588991 0.84 ALDH1A1 (0.66) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL5940974 0.81 MAPT (0.47) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL13444609 0.80 ALDH1A1 (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
Bromide SCHEMBL27458290 0.80 MAPT (0.46) HDAC1HDAC6MAPTTP53ALDH1A1
Bromide SCHEMBL2951034 0.80 MAPT (0.46) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL8853801 0.78 HDAC1 (0.51) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL9802833 0.77 MAPT (0.53) HDAC1HDAC6MAPTTP53ALDH1A1
SCHEMBL3965007 0.74 MAPT (0.52) HDAC1HDAC6MAPTTP53ALDH1A1

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-0292923-A2 Piperidine compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-11-30 EP claimed
EP-0125056-A2 Condensed, seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-11-14 EP disclosed