SCHEMBL9255635

SCHEMBL9255635

C=C(C(=O)OC)c1cncs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PIK3CD O00329 1/20 0.35
ACACB O00763 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CSF1R P07333 1/20 0.32
NAMPT P43490 1/20 0.32
ABL1 P00519 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
GRM5 P41594 1/20 0.31
KIF11 P52732 1/20 0.31
GRM4 Q14833 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7977917 0.77 KMT2A (0.41) KMT2APIK3CDALDH1A1IDO1TDO2
SCHEMBL1726348 0.77
SCHEMBL30368283 0.76 KMT2A (0.40) KMT2APIK3CDACACBIDO1TDO2
Hydrochloric Acid SCHEMBL27643705 0.76 KMT2A (0.47) KMT2APIK3CDACACBALDH1A1NPC1
SCHEMBL5140577 0.73 KMT2A (0.51) KMT2APIK3CDACACBIDO1TDO2
SCHEMBL299024 0.70
SCHEMBL2481828 0.70
SCHEMBL8866018 0.69 HDAC8 (0.40) KMT2APIK3CDGRM4
SCHEMBL5752803 0.69 KMT2A (0.47) KMT2APIK3CDACACBALDH1A1IDO1
SCHEMBL7702480 0.69 CES2 (0.50) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed