SCHEMBL5153729

SCHEMBL5153729

NC(=O)N(F)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
F2 P00734 2/20 0.47
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
FAAH O00519 1/20 0.47
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
RORC P51449 3/20 0.42

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
SCHEMBL31483840 0.79 HSP90AA1 (0.51) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL27521558 0.77 HSP90AA1 (0.59) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL27843526 0.77 PRSS1 (0.58) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL6467727 0.73 HSP90AA1 (0.54) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL7593278 0.73 PRSS1 (0.54) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL27586781 0.72 HSP90AA1 (0.57) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL6463099 0.72 HSP90AA1 (0.49) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL6467528 0.72 HSP90AA1 (0.45) HSP90AA1PRSS1PRSS2PRSS3F2
SCHEMBL10478607 0.71 RORC (0.61) HSP90AA1CA2ALDH1A1RORCSMN1; SMN2
SCHEMBL17333422 0.70 CNR2 (0.51) HSP90AA1PRSS1PRSS2PRSS3CA2

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