Fluoride

Fluoride

SCHEMBL5153720

F.NC(=O)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
P4HTM Q9NXG6 1/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
F2 P00734 2/20 0.49
CA9 Q16790 2/20 0.48
CA5A P35218 1/20 0.48
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL732335 0.98 CA1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL3936649 0.84 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL9492107 0.82 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL3936655 0.81 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL27074522 0.81 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL187271 0.80 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL22193556 0.80 MMP13 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL28494294 0.79 CA1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL5931096 0.79 CA1 (0.60) CA1CA2MMP1MMP2MMP9
SCHEMBL28499035 0.79 CA1 (0.55) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572104-A4 INDUCTION OF APOPTOSIS BY HIV-1 INFECTED MONOCYTIC CELLS SPERBER KIRK (US) 2007-01-17 EP disclosed
EP-1572104-A2 INDUCTION OF APOPTOSIS BY HIV-1 INFECTED MONOCYTIC CELLS Sperber, Kirk (US) 2005-09-14 EP disclosed
EP-1572104-A3 INDUCTION OF APOPTOSIS BY HIV-1 INFECTED MONOCYTIC CELLS Sperber, Kirk (US) 2005-08-18 EP disclosed
US-20040197770-A1 Induction of apoptosis by HIV-1 infected monocytic cells MOUNT SINAI SCHOOL OF MEDICINE 2004-10-07 US disclosed
WO-2004045519-A2 INDUCTION OF APOPTOSIS BY HIV-1 INFECTED MONOCYTIC CELLS SPERBER KIRK (US) 2004-06-03 WO disclosed