SCHEMBL10885495

SCHEMBL10885495

COc1cc(NS(=O)(=O)Cc2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
PTK2B Q14289 1/20 0.55
P2RY4 P51582 9/20 0.48
P2RY2 P41231 3/20 0.48
MET P08581 1/20 0.45
CYP17A1 P05093 1/20 0.42
MEN1 O00255 1/20 0.42
FGB P02675 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ADORA2A P29274 1/20 0.42
PPARG P37231 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7566865 0.83 CDK2 (0.56) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL11482558 0.83 KDM4E (0.48) ALDH1A1MAPK1P2RY4P2RY2MEN1
Toluene SCHEMBL12988233 0.79 CDK2 (0.49) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL24894584 0.79 P2RY4 (0.54) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL12552943 0.78 P2RY4 (0.61) P2RY4P2RY2MET
SCHEMBL7033959 0.78 CDK2 (0.68) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL10799004 0.78 P2RY4 (0.52) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL29368545 0.78 CDK2 (0.68) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL14391016 0.75 P2RY4 (0.51) ALDH1A1MAPK1P2RY4P2RY2MET
SCHEMBL460432 0.75 MAPT (0.66) ALDH1A1MAPK1P2RY4P2RY2MET

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
EP-0099333-B1 TRANSFER SHEETS FOR THE THERMAL DRY-PRINTING OF CELLULOSIC FIBRES SICPA HOLDING S.A. (CH) 1986-09-24 EP disclosed