SCHEMBL4970574

SCHEMBL4970574

COC(=O)c1ccccc1-c1nc(-c2c(-c3ccccc3)noc2C)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPK8 P45983 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4972650 0.89 KDM4E (0.47) MAPK14ALDH1A1KDM4EKMT2APOLB
SCHEMBL4972421 0.84 MAPK14 (0.46) MAPK14ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2473620 0.83 MAPK14 (0.42) MAPK14ALDH1A1KDM4EKMT2AGAA
SCHEMBL2475615 0.83 MAPK14 (0.51) MAPK14ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4973347 0.82 GAA (0.50) MAPK14ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL4974109 0.82 GAA (0.53) MAPK14ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL4971053 0.81 NPSR1 (0.48) MAPK14ALDH1A1TSHRMAPK8TP53
SCHEMBL4971842 0.81 GABRA5 (0.51) MAPK14ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL2472200 0.80 PTGS2 (0.59) MAPK14ALDH1A1KDM4EKMT2AGAA
SCHEMBL4973172 0.78 PTGS2 (0.48) MAPK14ALDH1A1KDM4EHPGDKMT2A

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-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO disclosed