SCHEMBL14303545

SCHEMBL14303545

CCc1nnc(N[C@@H](Cc2ccc([N+](=O)[O-])cc2)c2csc(-c3ccccc3)n2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 8/20 0.56
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP21 Q9UK80 1/20 0.41
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39

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
SCHEMBL500261 0.89 PTPRB (0.69) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL500260 0.89 PTPRB (0.69) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL8522780 0.81 PTPRB (0.46) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL8556924 0.79 PTPRB (0.46) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL19894165 0.77 PTPRB (0.44) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL27772340 0.77 PTPRB (0.49) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL684358 0.76 MAPT (0.48) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL500876 0.76 PTPRB (0.45) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL500877 0.76 PTPRB (0.45) PTPRBMEN1KMT2AMAPTHTT
SCHEMBL13165657 0.76 PTPRB (0.82) PTPRB

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-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed