SCHEMBL8178203

SCHEMBL8178203

O=C(O)c1ccc(OS(=O)(=O)C(F)(F)F)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 1/20 0.53
P4HA1 P13674 2/20 0.46
P4HTM Q9NXG6 2/20 0.46
MIF P14174 1/20 0.44
HCAR3 P49019 9/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43

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
SCHEMBL4675872 0.85 MAPK1 (0.51) L3MBTL1MAPTGABRA5ALDH1A1MAPK1
SCHEMBL16422737 0.82 MAPT (0.48) L3MBTL1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL7952665 0.80 CA1 (0.39) L3MBTL1MAPTALDH1A1
SCHEMBL12500730 0.79 TDP1 (0.43) L3MBTL1MAPTALDH1A1HPGDPOLB
SCHEMBL2302456 0.78 L3MBTL1 (0.66) L3MBTL1MAPTP4HA1P4HTMMIF
SCHEMBL6829621 0.78 L3MBTL1 (0.41) L3MBTL1MAPTP4HA1P4HTMMIF
SCHEMBL30112060 0.78 L3MBTL1 (0.66) L3MBTL1MAPTP4HA1P4HTMMIF
SCHEMBL30832531 0.78 CXCR2 (0.36) L3MBTL1GABRA5ALDH1A1CYP2C9CYP2C19
SCHEMBL16548489 0.77 KDM4E (0.40) L3MBTL1MAPTALDH1A1HPGDHSD17B10
SCHEMBL1017950 0.77 PDE4A (0.42) L3MBTL1MAPTALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051574-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-04-18 US disclosed
US-5883105-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-03-16 US disclosed
US-5880140-A Biheteroaryl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-03-09 US disclosed
EP-0891351-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
EP-0891357-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036898-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036890-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed