Thiourea

Thiourea

SCHEMBL123111

NC(N)=S.O=c1c(O)c(O)c1=O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
ATR Q13535 1/20 0.43
GSR P00390 1/20 0.31
GSTP1 P09211 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31

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
SCHEMBL56172 0.80
Methylamine SCHEMBL28903592 0.77 GSR (0.33) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL916303 0.76 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
Water SCHEMBL8171778 0.76
Ammonia Solution, Strong SCHEMBL7105974 0.76 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL5081844 0.76 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
SCHEMBL159013 0.76 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
Fluoride SCHEMBL915482 0.76
Hydrochloric Acid SCHEMBL2212601 0.76 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2
Hydrochloric Acid SCHEMBL2212596 0.76 GSR (0.36) GSRGSTP1TXNRD1TXNRD3TXNRD2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928476-A1 COMPOUNDS, COMPOSITIONS AND METHODS USING E-SELECTIN ANTAGONISTS FOR MOBILIZATION OF HEMATOPOIETIC CELLS GlycoMimetics, Inc. (US) 2015-10-14 EP disclosed
EP-2794626-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlycoMimetics, Inc. (US) 2014-10-29 EP disclosed
WO-2014089269-A1 COMPOUNDS, COMPOSITIONS AND METHODS USING E-SELECTIN ANTAGONISTS FOR MOBILIZATION OF HEMATOPOIETIC CELLS GLYCOMIMETICS, INC. (US) 2014-06-12 WO disclosed
WO-2013096926-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2013-06-27 WO disclosed
EP-2555779-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GlycoMimetics, Inc. (US) 2013-02-13 EP disclosed
WO-2012061662-A9 GLYCOMIMETIC-PEPTIDOMIMETIC INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2012-12-06 WO disclosed
WO-2012061662-A1 GLYCOMIMETIC-PEPTIDOMIMETIC INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2012-05-10 WO disclosed
WO-2012047918-A1 ANTI-EPILEPTOGENIC AGENTS GLYCOMIMETICS, INC. (US) 2012-04-12 WO disclosed
EP-2424544-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GlycoMimetics, Inc. (US) 2012-03-07 EP disclosed
WO-2011127179-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GLYCOMIMETICS, INC. (US) 2011-10-13 WO disclosed
WO-2009126556-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS, INC. (US) 2009-10-15 WO disclosed
EP-2074132-A2 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GlycoMimetics, Inc. (US) 2009-07-01 EP disclosed
WO-2009011889-A2 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH GLYCOMIMETICS, INC. (US) 2009-01-22 WO disclosed
EP-1934236-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GlycoMimetics, Inc. (US) 2008-06-25 EP disclosed
WO-2008060378-A2 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2008-05-22 WO disclosed
WO-2008002449-A2 GLYCOMIMETIC INHIBITORS OF SIGLEC-8 GLYCOMIMETICS, INC. (US) 2008-01-03 WO disclosed
WO-2007028050-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2007-03-08 WO disclosed
WO-2006127906-A1 HETEROBIFUNCTIONAL COMPOUNDS FOR SELECTIN INHIBITION GLYCOMIMETICS, INC. (US) 2006-11-30 WO disclosed
EP-1685145-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GlycoMimetics, Inc. (US) 2006-08-02 EP disclosed
WO-2005054264-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-16 WO disclosed