SCHEMBL7987098

SCHEMBL7987098

CC(C)[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
F2 P00734 4/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
LMNA P02545 1/20 0.44
EPHX1 P07099 1/20 0.43
LARS1 Q9P2J5 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL2L1 Q07817 2/20 0.43
MCL1 Q07820 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 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
SCHEMBL4926929 0.91 NPC1 (0.45) NPC1RAB9AHTR2CHTR6F2
SCHEMBL4926920 0.78 ALDH1A1 (0.47) NPC1RAB9AHTR2CHTR6F2
SCHEMBL7987856 0.78 MMP9 (0.49) F2PRSS1PRSS2PRSS3MMP2
SCHEMBL1770435 0.74 MMP13 (0.58) MMP2MMP13
SCHEMBL1770344 0.74 MMP13 (0.58) MMP2MMP13
SCHEMBL20021986 0.73 HTR2C (0.56) NPC1RAB9AHTR2CHTR6LMNA
SCHEMBL4927454 0.71 F2 (0.49) NPC1RAB9AF2PRSS1PRSS2
SCHEMBL14294227 0.71 NPC1 (0.56) NPC1RAB9AHTR2CHTR6LMNA
SCHEMBL7371173 0.70 SLC1A3 (0.59) F2PRSS1PRSS2PRSS3LMNA
SCHEMBL6825950 0.70 NPC1 (0.52) NPC1RAB9AF2PRSS1PRSS2

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-6242467-B1 (N-HYDROXYAMIDO)-ALKYLSULFONAMIDE DERIVATIVES; INHIBITORS OF TUMOR NECROSIS FACTOR AND CD23 ANTIGEN; AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, ANTIALLERGENS SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-05 US claimed