SCHEMBL4690229

SCHEMBL4690229

O=C1C(Sc2ccccc2)c2cccnc2N1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL9469283 0.91 ALDH1A1 (0.39) ALDH1A1MAPTGAAMEN1ALOX15
SCHEMBL9469385 0.90 GAA (0.39) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9470368 0.89 ALDH1A1 (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9470503 0.88 ALDH1A1 (0.40) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9470300 0.87 MAPT (0.39) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9470466 0.82 KMT2A (0.47) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9469535 0.80 ALDH1A1 (0.50) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9470341 0.78 MEN1 (0.40) ALDH1A1MAPTGAAMEN1ALOX15
SCHEMBL9470196 0.78 ALDH1A1 (0.39) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9470115 0.78 ALDH1A1 (0.45) ALDH1A1MAPTGAAMEN1KMT2A

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-1399155-B1 SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE BOEHRINGER INGELHEIM PHARMA (US) 2008-05-28 EP disclosed
US-6414153-B1 TREATMENT OF INFLAMMATORY OR IMMUNE CELL-MEDIATED DISEASE OR CONDITION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-07-02 US disclosed