SCHEMBL5993385

SCHEMBL5993385

O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.63
SIRT2 Q8IXJ6 1/20 0.56
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MITF O75030 1/20 0.53
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
DUSP3 P51452 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL14778357 0.84 MEN1 (0.66) BRAFMEN1KMT2ADUSP3POLB
SCHEMBL14788068 0.84 MEN1 (0.66) BRAFMEN1KMT2ADUSP3POLB
SCHEMBL14778359 0.84 MEN1 (0.66) BRAFMEN1KMT2ADUSP3POLB
SCHEMBL5991093 0.80 POLB (0.57) BRAFGSK3AGSK3BMEN1KMT2A
SCHEMBL5147278 0.80 BRAF (0.66) BRAFGSK3AGSK3BMEN1KMT2A
SCHEMBL25633689 0.79 MEN1 (0.61) BRAFMEN1KMT2ADUSP3POLB
SCHEMBL1066159 0.78 DUSP3 (0.74) BRAFMEN1KMT2ADUSP3POLB
SCHEMBL1066160 0.78 DUSP3 (0.74) BRAFMEN1KMT2ADUSP3POLB
SCHEMBL5145115 0.77 BRAF (0.68) BRAFGSK3AGSK3BMEN1KMT2A
SCHEMBL5145120 0.77 BRAF (0.68) BRAFGSK3AGSK3BMEN1KMT2A

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed