SCHEMBL8559918

SCHEMBL8559918

O=S(=O)(Nc1nc(Cc2ccccc2)oc1-c1ccc(F)cc1F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK14 Q16539 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL8561140 0.92 MAPT (0.41) MAPTALDH1A1MAPK14SLC40A1KDM4E
SCHEMBL8558352 0.90 MAPT (0.42) MAPTALDH1A1SLC40A1KDM4ECCNT1
SCHEMBL8561427 0.90 ALDH1A1 (0.42) MAPTALDH1A1SLC40A1KDM4EMEN1
SCHEMBL8556636 0.89 MAPT (0.44) MAPTALDH1A1SLC40A1KDM4ERXFP1
SCHEMBL8556822 0.87 PIK3CG (0.43) MAPTALDH1A1SLC40A1KDM4EPIK3CD
SCHEMBL8554227 0.87 CCNT1 (0.49) MAPTALDH1A1SLC40A1CCNT1CDK9
SCHEMBL8559708 0.84 MAPT (0.46) MAPTALDH1A1KDM4ERXFP1MEN1
SCHEMBL8556998 0.84 PTPN1 (0.44) MAPTALDH1A1SLC40A1KDM4EMEN1
SCHEMBL8555551 0.84 MAPT (0.43) MAPTALDH1A1SLC40A1KDM4ERXFP1
SCHEMBL8560599 0.83 MAPT (0.46) MAPTALDH1A1PTGES2SLC40A1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed