SCHEMBL9251960

SCHEMBL9251960

COc1cc(C=O)cc(CN2CCN(C(=S)SC)CC2)c1O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.50
MAPT P10636 5/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 3/20 0.47
FAAH O00519 1/20 0.45
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL3100738 0.82 GAA (0.56) GAAMAPTMAPK1LMNATSHR
SCHEMBL3101191 0.81 GAA (0.57) GAAMAPTMAPK1LMNATSHR
SCHEMBL5604541 0.79 GAA (0.49) GAAMAPTMAPK1LMNAFAAH
SCHEMBL3103923 0.79 GAA (0.53) GAAMAPTMAPK1LMNASMN1; SMN2
SCHEMBL9249919 0.78 GAA (0.61) GAAMAPTMAPK1TSHRSMN1; SMN2
SCHEMBL3097222 0.78 KDM4E (0.56) GAAMAPTMAPK1LMNAFAAH
SCHEMBL9252788 0.78 KMT2A (0.55) MAPTMAPK1LMNAFAAHTSHR
Hydrochloric Acid SCHEMBL9250695 0.77 GAA (0.59) GAAMAPTMAPK1TSHRSMN1; SMN2
SCHEMBL4898052 0.76 MAPK1 (0.56) GAAMAPTMAPK1LMNATSHR
SCHEMBL9256748 0.74 CYP2C19 (0.49) LMNATSHRSMN1; SMN2KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446146-A Treatment of liver disorders NIPPON CHEMIPHAR CO., LTD. (JP) 1995-08-29 US disclosed
EP-0326379-B1 Therapeutic agent for liver disease and piperazine derivatives NIPPON CHEMIPHAR CO (JP) 1994-06-01 EP disclosed
US-5070089-A INHIBITION OF LIPID PEROXIDATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 US disclosed
EP-0326379-A2 Therapeutic agent for liver disease and piperazine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1989-08-02 EP disclosed