SCHEMBL9253264

SCHEMBL9253264

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.41
KDM1A O60341 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41

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
SCHEMBL9255598 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL9257131 0.79 KDM4E (0.58) ALDH1A1KMT2AMEN1LMNAKDM4E
Hydrochloric Acid SCHEMBL9876458 0.78 KDM4E (0.57) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL5396736 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL19002660 0.73 KMT2A (0.53) KMT2AMEN1MAPTKDM4ETDP1
SCHEMBL19002662 0.73 TP53 (0.50) ALDH1A1KMT2ANPC1LMNAKDM4E
SCHEMBL9829916 0.73 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10690642 0.72 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL16276134 0.70 LMNA (0.63) ALDH1A1NPC1LMNAPOLBCYP1A2
SCHEMBL9255037 0.70 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTNPC1

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