SCHEMBL468063

SCHEMBL468063

CCc1csc(C(CN)c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
RAB9A P51151 4/20 0.38
BACE1 P56817 1/20 0.37
GAA P10253 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPK1 P28482 2/20 0.34
TYMS P04818 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL467874 1.00 MAPT (0.38) MAPTRAB9ABACE1GAALOXL2
SCHEMBL468116 0.79 MAPT (0.51) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL468061 0.78 PTPRB (0.41) MAPTRAB9AGAALOXL2MEN1
SCHEMBL467873 0.78 PTPRB (0.41) MAPTRAB9AGAALOXL2MEN1
SCHEMBL1287147 0.77 OPRM1 (0.52) MAPTGAAMEN1KMT2AALDH1A1
Bromide SCHEMBL467881 0.77 PTPRB (0.40) MAPTRAB9AGAALOXL2MEN1
Bromide SCHEMBL19502581 0.77 PTPRB (0.40) MAPTRAB9AGAALOXL2MEN1
SCHEMBL3694833 0.76 MEN1 (0.45) MAPTGAAMEN1KMT2ANPC1
SCHEMBL16059632 0.76 LMNA (0.39) MAPTGAAMEN1KMT2ANPC1
SCHEMBL16573541 0.76 CCR3 (0.40) MAPTRAB9AGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed