SCHEMBL7618059

SCHEMBL7618059

COC(=O)c1sc2cncc(Cl)c2c1N.NC(=O)c1sc2cncc(Cl)c2c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 3/20 0.52
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CASP1 P29466 1/20 0.52
HTT P42858 1/20 0.52
CASP7 P55210 1/20 0.52
NCOA1 Q15788 1/20 0.52
RCE1 Q9Y256 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
ICAM1 P05362 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
SCHEMBL7058501 0.95 KDM4E (0.57) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL7057179 0.89 ICAM1 (0.49) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL4131544 0.80 KDM4E (0.45) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8933525 0.80 KDM4E (0.58) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL15517761 0.80 KDM4E (0.58) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL15516982 0.79 KDM4E (0.57) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL7057425 0.76 ICAM1 (0.48) GAAHTTMEN1KMT2AMAPK1
SCHEMBL8242672 0.76 KDM4E (0.54) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL7057872 0.75 CDK8 (0.59) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4343748 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDGLAGAA

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-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed