SCHEMBL9255628

SCHEMBL9255628

COC(=O)C=Cc1cncs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 1/20 0.40
NFE2L2 Q16236 3/20 0.40
KEAP1 Q14145 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9255626 1.00 KMT2A (0.49) KMT2AMEN1CA12CA1CA2
SCHEMBL16019162 0.82 RAB9A (0.47) CA12CA1CA2CA7CA9
SCHEMBL17926074 0.82 RAB9A (0.47) CA12CA1CA2CA7CA9
SCHEMBL4572964 0.80 GLA (0.38) KMT2AMEN1ALDH1A1RAB9AHCAR2
SCHEMBL4572963 0.80 GLA (0.38) KMT2AMEN1ALDH1A1RAB9AHCAR2
SCHEMBL2522171 0.78 HCAR2 (0.48) KMT2ACA12CA1CA2TYR
SCHEMBL2522174 0.78 HCAR2 (0.48) KMT2ACA12CA1CA2TYR
SCHEMBL18985284 0.77 CCNC (0.41) KMT2AMEN1ALDH1A1RAB9AHCAR2
SCHEMBL6297810 0.76 PIK3CD (0.37) RAB9ASMN1; SMN2HPGDNLRP3
SCHEMBL3945104 0.76 CCNC (0.36) ALDH1A1RAB9AMAPTLMNACCNC

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