SCHEMBL7916583

SCHEMBL7916583

O=C(Nc1cccc(-n2nnc(S)n2)c1)c1ccccc1S(=O)(=O)O.[Au]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
DDX3X O00571 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.37
FADS1 O60427 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
CRHR2 Q13324 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34

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
SCHEMBL7167035 0.99 BCAT2 (0.41) BCAT2ALDH1A1NPC1RAB9ADDX3X
SCHEMBL5665451 0.98 BCAT2 (0.40) BCAT2ALDH1A1NPC1RAB9ADDX3X
Potassium SCHEMBL5665459 0.98 BCAT2 (0.40) BCAT2ALDH1A1NPC1RAB9ADDX3X
SCHEMBL7563729 0.81 F10 (0.41) BCAT2ALDH1A1NPC1RAB9ADDX3X
SCHEMBL7559792 0.80 F10 (0.40) BCAT2ALDH1A1NPC1RAB9ADDX3X
SCHEMBL1122642 0.80 F10 (0.41) BCAT2ALDH1A1NPC1RAB9ADDX3X
SCHEMBL6546825 0.79 F10 (0.41) BCAT2ALDH1A1NPC1RAB9ADDX3X
Potassium SCHEMBL6317761 0.78 F10 (0.40) BCAT2ALDH1A1NPC1RAB9ADDX3X
SCHEMBL5318752 0.76 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AABCG2MAPT
SCHEMBL10889830 0.74 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AABCG2KDM4E

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-6221546-B1 COMPRISING A WATER INSOLUBLE VINYL OR ACRYLIC POLYMER HAVING A TG LESS THAN 25 DEGREES C EASTMAN KODAK COMPANY 2001-04-24 US disclosed