SCHEMBL9254016

SCHEMBL9254016

COc1cccc(CN2CCN(C(=S)SC)CC2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9252776 0.89 CYP2C19 (0.60) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9253004 0.88 LMNA (0.58) KDM4EALDH1A1MEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL9249587 0.88 CYP2C19 (0.59) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9252788 0.88 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9252823 0.87 LMNA (0.57) KDM4EALDH1A1MEN1KMT2AALOX15
SCHEMBL9256748 0.84 CYP2C19 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9255254 0.83 CYP2C19 (0.48) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9821357 0.81 CYP2C19 (0.62) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9257131 0.78 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9831188 0.78 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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