SCHEMBL9253292

SCHEMBL9253292

COc1c(O)c(C)c(CN2CCN(C(=S)SC)CC2)c(O)c1OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 2/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9246403 0.85 MGLL (0.39) PHGDHMGLLPOLBALDH1A1CA1
Hydrochloric Acid SCHEMBL9254069 0.83 MGLL (0.38) PHGDHMGLLALDH1A1CA1CA2
SCHEMBL9253056 0.77 CA1 (0.32) PHGDHMGLLPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL9258749 0.76 CA1 (0.32) PHGDHMGLLPOLBALDH1A1MEN1
SCHEMBL10474882 0.75 GAA (0.44) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL9256748 0.73 CYP2C19 (0.49) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL9253273 0.73 KMT2A (0.41) POLBALDH1A1MEN1KMT2ACA1
Hydrochloric Acid SCHEMBL9255254 0.73 CYP2C19 (0.48) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL9249919 0.72 GAA (0.61) PHGDHMGLLPOLBALDH1A1MEN1
SCHEMBL9257131 0.72 KDM4E (0.58) POLBALDH1A1MEN1KMT2AKDM4E

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