SCHEMBL7371173

SCHEMBL7371173

CC(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
F2 P00734 4/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
LARS1 Q9P2J5 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KAT6A Q92794 4/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.49
NLRP3 Q96P20 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADAMTS4 O75173 1/20 0.49
CYP1A2 P05177 2/20 0.48

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
SCHEMBL10830548 0.87 ADAMTS4 (0.66) SLC1A3SLC1A2SLC1A1F2LARS1
SCHEMBL8319592 0.87 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL7322447 0.87 ADAMTS4 (0.66) SLC1A3SLC1A2SLC1A1F2LARS1
SCHEMBL10830564 0.85 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL10830562 0.85 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL8619578 0.83 KMT2A (0.48) F2PRSS1PRSS2PRSS3KAT6A
SCHEMBL3687103 0.81 ADAMTS4 (0.61) SLC1A3SLC1A2SLC1A1LARS1L3MBTL1
SCHEMBL791357 0.81 ADAMTS4 (0.61) SLC1A3SLC1A2SLC1A1LARS1L3MBTL1
SCHEMBL3692936 0.81 L3MBTL1 (0.66) SLC1A3SLC1A2SLC1A1F2PRSS1
SCHEMBL6008513 0.80 L3MBTL1 (0.64) SLC1A3SLC1A2SLC1A1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997049673-A1 SELECTIVE THROMBIN INHIBITORS LG CHEMICAL LTD. (KR) 1997-12-31 WO claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO disclosed