SCHEMBL5117540

SCHEMBL5117540

O=NS(=O)(=O)c1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
PDGFRB P09619 1/20 0.37

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
SCHEMBL3521038 0.77 HTT (0.58) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL3458498 0.77 HTT (0.57) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL30665799 0.77 HTT (0.57) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL516558 0.77 HTT (0.57) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL27914649 0.76 HTT (0.56) HTTMAPTLMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL28203639 0.76 HTT (0.56) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL27767382 0.74 HTT (0.76) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL28517940 0.73 HTT (0.55) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL11127797 0.73 HTT (0.53) HTTMAPTLMNAALDH1A1HPGD
SCHEMBL27605458 0.73 HTT (0.55) HTTMAPTLMNAALDH1A1HPGD

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-2785635-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS Mallinckrodt LLC (US) 2014-10-08 EP disclosed
WO-2013082389-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MALLINCKRODT INC. (US) 2013-06-06 WO disclosed
EP-1687322-A4 CUSTOM VECTORS FOR TREATING AND PREVENTING PANCREATIC CANCER US GOV HEALTH & HUMAN SERV (US) 2008-05-14 EP disclosed
EP-1687322-A2 CUSTOM VECTORS FOR TREATING AND PREVENTING PANCREATIC CANCER THERION BIOLOGICS CORPORATION (US) 2006-08-09 EP disclosed
WO-2005046622-A2 CUSTOM VECTORS FOR TREATING AND PREVENTING PANCREATIC CANCER THERION BIOLOGICS CORPORATION (US) 2005-05-26 WO disclosed