SCHEMBL9802833

SCHEMBL9802833

O=C(CN1CCCSc2ccccc21)Nc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
TP53 P04637 5/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.42

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
SCHEMBL10588991 0.83 ALDH1A1 (0.66) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL7366935 0.77 HDAC1 (0.56) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL10588893 0.76 HDAC1 (0.55) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL30808595 0.69 MAPT (0.65) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL8853801 0.68 HDAC1 (0.51) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL23950277 0.66 HDAC1 (1.00) HDAC1HDAC6
SCHEMBL22275060 0.66 HDAC1 (0.66) MAPTALDH1A1MAPK1GFERHDAC1
SCHEMBL3965007 0.65 MAPT (0.52) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL30808624 0.64 MAPT (0.51) MAPTALDH1A1LMNAMAPK1GFER
SCHEMBL9629708 0.64 HDAC1 (0.47) MAPTALDH1A1LMNAMAPK1GFER

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
US-5055464-A Cognition activators, diuretics, antiulcer agents YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1991-10-08 US claimed