SCHEMBL9255598

SCHEMBL9255598

COc1cc(N2CCN(C(=S)S)CC2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9253264 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL5396736 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1POLBTGFBR1
SCHEMBL19002662 0.77 TP53 (0.50) ALDH1A1KMT2APOLBTGFBR1ACVR1
SCHEMBL9247077 0.77 KDM4E (0.62) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL19002660 0.77 KMT2A (0.53) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL9829916 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL10690642 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL27953331 0.74 LMNA (0.54) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL26186618 0.73 POLB (0.69) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL16276134 0.73 LMNA (0.63) ALDH1A1POLBCYP1A2L3MBTL1LMNA

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