SCHEMBL138997

SCHEMBL138997

Cc1ccc(S(=O)(=O)Oc2ccc3nc(C4=NC(C)CS4)sc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
RORC P51449 4/20 0.38
CA2 P00918 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SCD O00767 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
SCHEMBL17856924 1.00 PTPN1 (0.38) PTPN1RORCCA2MCOLN3GPR35
SCHEMBL17856888 0.89 GPR35 (0.43) PTPN1RORCCA2MCOLN3GPR35
SCHEMBL255379 0.89 GPR35 (0.52) PTPN1RORCCA2MCOLN3GPR35
SCHEMBL140432 0.89 GPR35 (0.52) PTPN1RORCCA2MCOLN3GPR35
SCHEMBL16153619 0.88 MCOLN3 (0.34) PTPN1MCOLN3MAPTALDH1A1HPGD
SCHEMBL19393227 0.84 CA2 (0.38) PTPN1RORCCA2MCOLN3MAPT
SCHEMBL17861116 0.82 GPR35 (0.52) PTPN1RORCCA2GPR35MAPT
SCHEMBL140675 0.82 GPR35 (0.52) PTPN1RORCCA2GPR35MAPT
SCHEMBL17856889 0.82 GPR35 (0.43) PTPN1RORCCA2GPR35MAPT
SCHEMBL14000916 0.81 RAB9A (0.38) MAPTMEN1KMT2APOLBGLA

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
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 US disclosed