SCHEMBL9252263

SCHEMBL9252263

COc1cc(CN2CCN(C(=S)SC(C)C)CC2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CYP2C9 P11712 2/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
TP53 P04637 1/20 0.46

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 SCHEMBL9252872 0.99 KDM4E (0.60) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL9257131 0.86 KDM4E (0.58) KDM4EMEN1KMT2ACYP2C9ALOX15
Hydrochloric Acid SCHEMBL9876458 0.85 KDM4E (0.57) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL9247077 0.81 KDM4E (0.62) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL10423391 0.80 KDM4E (0.61) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL9250192 0.79 KDM4E (0.60) KDM4EMEN1KMT2ACYP2C9ALOX15
Hydrochloric Acid SCHEMBL10334149 0.78 KDM4E (0.75) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL13204390 0.76 KDM4E (0.63) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL9249919 0.75 GAA (0.61) KDM4EMEN1KMT2ACYP2C9ALOX15
SCHEMBL10423390 0.75 KDM4E (0.65) KDM4EMEN1KMT2ACYP2C9ALOX15

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