SCHEMBL467952

SCHEMBL467952

CCc1coc([C@@](N)(I)Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GHSR Q92847 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL4833873 0.74 POLB (0.47) IDO1LOXL2SMN1; SMN2ALDH1A1MAPT
SCHEMBL500100 0.71 SMN1; SMN2 (0.39) IDO1LOXL2SMN1; SMN2GHSRALDH1A1
SCHEMBL17429759 0.71 SMN1; SMN2 (0.39) IDO1LOXL2SMN1; SMN2GHSRALDH1A1
SCHEMBL10256756 0.67 CCR3 (0.45) LOXL2SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL776520 0.67 LOXL2 (0.57) IDO1LOXL2ALDH1A1POLB
SCHEMBL75530 0.66 LOXL2 (0.55) IDO1LOXL2ALDH1A1MAPTTHRB
SCHEMBL8587260 0.66 CCR3 (0.44) LOXL2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15990731 0.66 ALDH1A1 (0.38) LOXL2ALDH1A1MAPTNPC1L3MBTL1
SCHEMBL4831350 0.65 HDAC1 (0.50) IDO1LOXL2SMN1; SMN2ALDH1A1MAPT
SCHEMBL28828140 0.65 AR (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A

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