SCHEMBL5205927

SCHEMBL5205927

CNC(=O)C1NC2C=CC=CC2S1.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.34
ADRA2C P18825 1/20 0.33
F2 P00734 4/20 0.33
F10 P00742 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC7A5 Q01650 1/20 0.31
CFD P00746 1/20 0.31
PDK1 Q15118 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL6998943 0.95 OPRM1 (0.33) LOXL2ADRA2CKMT2AL3MBTL1CFD
SCHEMBL5628892 0.90 ADRA2C (0.35) LOXL2ADRA2CF2F10KMT2A
SCHEMBL5208096 0.81 KMT2A (0.36) KMT2A
SCHEMBL5210877 0.77 ADRA2C (0.52) LOXL2ADRA2CF2KMT2AL3MBTL1
Trifluoroacetic Acid SCHEMBL5209569 0.75 F2 (0.31) F2
SCHEMBL5204891 0.72 KMT2A (0.33) ADRA2CF2F10KMT2A
SCHEMBL5209352 0.72 F2 (0.34) ADRA2CF2F10KMT2A
Trifluoroacetic Acid SCHEMBL5206988 0.71 FOLH1 (0.35) ADRA2CF2F10OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL5629214 0.70 F2 (0.32) ADRA2CF2F10
SCHEMBL5208588 0.70 F2 (0.34) LOXL2ADRA2CF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed