SCHEMBL9249707

SCHEMBL9249707

COc1ccc(CN2CCN(C(=S)SC)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.59
FAAH O00519 1/20 0.59
ALDH1A1 P00352 5/20 0.53
TSHR P16473 2/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
Hydrochloric Acid SCHEMBL9254487 0.99 KDM4E (0.58) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL9249919 0.85 GAA (0.61) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL9257131 0.85 KDM4E (0.58) KDM4EKMT2AMEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9876458 0.84 KDM4E (0.57) KDM4EKMT2AMEN1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9250695 0.84 GAA (0.59) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL1600111 0.83 KMT2A (0.65) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL9256000 0.82 ALDH1A1 (0.63) KDM4EKMT2AMEN1FAAHALDH1A1
Hydrochloric Acid SCHEMBL9257450 0.81 ALDH1A1 (0.62) KDM4EKMT2AMEN1FAAHALDH1A1
SCHEMBL9253999 0.81 SIGMAR1 (0.64) KDM4EKMT2AMEN1FAAHALDH1A1
SCHEMBL19049371 0.80 KDM4E (0.70) KDM4EKMT2AMEN1TP53MAPK1

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