SCHEMBL3926413

SCHEMBL3926413

NC(=S)N(I)C(Cc1ccc([N+](=O)[O-])cc1)c1csc(-c2cccs2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 1/20 0.33
CCR3 P51677 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL468181 0.85 KDM4E (0.37) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL23303492 0.82 PTPRB (0.40) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL468179 0.82 PTPRB (0.46) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL23303496 0.82 PTPRB (0.40) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL500491 0.82 PTPRB (0.46) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL17083263 0.81 MAPT (0.41) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL683502 0.81 MAPT (0.41) PTPRBRAB9ANPC1MAPTLMNA
SCHEMBL501297 0.81 MAPT (0.41) PTPRBRAB9ANPC1MAPTLMNA
Bromide SCHEMBL23303501 0.80 MAPT (0.40) PTPRBRAB9ANPC1MAPTLMNA
Bromide SCHEMBL500138 0.80 MAPT (0.40) PTPRBRAB9ANPC1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed