SCHEMBL8106323

SCHEMBL8106323

CSc1cccc(COS(C)(=O)=O)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP19A1 P11511 3/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MGMT P16455 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL8838615 0.86 KMT2A (0.36) KMT2AMEN1ALDH1A1TDP1CYP19A1
SCHEMBL8178850 0.81 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL8118510 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL8115993 0.75 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1SLC6A2
SCHEMBL1089020 0.73 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL3843256 0.72 TDP1 (0.53) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL17445282 0.71 TDP1 (0.40) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL8838610 0.71 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL3025068 0.71 PDE7A (0.46) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL10694908 0.70 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TDP1LMNA

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
EP-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 — — EP disclosed
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 — — US disclosed
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 — — US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 — — EP disclosed
Send feedback