SCHEMBL6441306

SCHEMBL6441306

CC(=O)Nc1nc(-c2ccc(CCNOC(=O)NCNC(=O)O)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 1/20 0.53
ABL1 P00519 4/20 0.50
MAPT P10636 6/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.43

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
SCHEMBL4987302 0.85 AOC3 (0.65) AOC3MEN1KMT2ARAB9ANPC1
Carbamic Acid SCHEMBL6441307 0.84 AOC3 (0.64) AOC3MEN1KMT2ARAB9ANPC1
Carbamic Acid SCHEMBL4871763 0.79 AOC3 (0.69) AOC3MEN1KMT2ARAB9ANPC1
SCHEMBL14019488 0.78 AOC3 (0.67) AOC3MEN1KMT2ARAB9ANPC1
SCHEMBL4871757 0.78 AOC3 (0.61) AOC3MEN1KMT2ARAB9ANPC1
SCHEMBL27626640 0.78 AOC3 (0.58) AOC3MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL4866950 0.77 AOC3 (0.68) AOC3MEN1KMT2ARAB9ANPC1
SCHEMBL3943224 0.77 AOC3 (0.60) AOC3MEN1KMT2ARAB9ANPC1
Isobutane SCHEMBL4988435 0.76 AOC3 (0.65) AOC3MEN1KMT2ARAB9ANPC1
SCHEMBL3942963 0.76 AOC3 (0.67) AOC3MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed