SCHEMBL8978650

SCHEMBL8978650

COc1ccc(-c2n[nH]c(=S)[nH]2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
GAA P10253 1/20 0.58
MPI P34949 1/20 0.58
GFER P55789 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HSD17B10 Q99714 2/20 0.56
KMT2A Q03164 2/20 0.50
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48
ADAM17 P78536 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL12768570 0.81 KDM4E (0.57) KDM4EALDH1A1GAAMPIAPOBEC3G
SCHEMBL27846632 0.72 HPGDS (0.53) KDM4EALDH1A1GAAMPIGFER
SCHEMBL187940 0.71 ALDH1A1 (0.54) KDM4EALDH1A1GAAMPIGFER
SCHEMBL8978590 0.71 DCUN1D1 (0.57) KDM4EALDH1A1GAAGFERAPOBEC3G
SCHEMBL8840880 0.71 PDE4A (0.67) KDM4EALDH1A1GAAMPIGFER
SCHEMBL3343223 0.70 NPC1 (0.49) KDM4EALDH1A1GAAMPIGFER
SCHEMBL8978546 0.70 KDM4E (0.68) KDM4EALDH1A1GFERAPOBEC3GTDP1
SCHEMBL15117081 0.69 NR1H2 (0.63) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL11603170 0.69 ALOX5 (0.74) KDM4EALDH1A1GAAMPIGFER
SCHEMBL5510771 0.68 ALDH1A1 (0.39) KDM4EALDH1A1GAAMPIAPOBEC3G

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-5489598-A INHIBITS ADHESION OF MAC-1 TO ENDOTHELIAL CELLS, USEFUL FOR TREATING GASTRITIS INDUCED BY NONSTEROIDANTIINFLAMMATORY DRUGS IMFLAMMATORY BOWEL DISEASE OF ULCERATIVE COLITIS WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed