SCHEMBL7986952

SCHEMBL7986952

CS(=O)(=O)C1=C2[C@H](CCN2C(=O)OCc2ccccc2)N(S(C)(=O)=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
HTR2C P28335 1/20 0.39
CTRB1 P17538 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL6624123 0.88 F2 (0.46) F2ELANECTSGNPC1RAB9A
SCHEMBL6621283 0.87 F2 (0.46) F2ELANECTSGNPC1RAB9A
SCHEMBL6618700 0.86 F2 (0.45) F2ELANECTSGNPC1RAB9A
SCHEMBL6624762 0.86 F2 (0.45) F2ELANECTSGNPC1RAB9A
SCHEMBL6622681 0.86 F2 (0.45) F2ELANECTSGNPC1RAB9A
SCHEMBL6618855 0.84 ELANE (0.52) F2ELANECTSGNPC1RAB9A
SCHEMBL6624122 0.84 ELANE (0.52) F2ELANECTSGNPC1RAB9A
SCHEMBL6620157 0.75 ELANE (0.43) F2ELANECTSGNPC1RAB9A
SCHEMBL6621004 0.73 ELANE (0.45) F2ELANECTSGNPC1RAB9A
SCHEMBL6616811 0.72 ELANE (0.51) ELANESMN1; SMN2HTTMEN1KMT2A

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-6215002-B1 CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS GLAXO WELLCOME INC. 2001-04-10 US disclosed