SCHEMBL183225

SCHEMBL183225

Cc1ccc(N=O)c(S(=O)(=O)Oc2ccc3nc(C4=N[C@@H](C=O)CS4)sc3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.35
CA2 P00918 3/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
RORC P51449 4/20 0.32
CA1 P00915 1/20 0.32
HPGD P15428 4/20 0.31
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 3/20 0.31
GLA P06280 3/20 0.31
GAA P10253 3/20 0.31
KMT2A Q03164 2/20 0.30
NPC1 O15118 2/20 0.30
APP P05067 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL12652647 0.89 GPR35 (0.37) GPR35CA2CA1
SCHEMBL14000916 0.77 RAB9A (0.38) MAPTGLAGAAKMT2ANPC1
SCHEMBL14000717 0.76 PTPN1 (0.41) GPR35CA2CCNE1CDK2CDK5
SCHEMBL183510 0.76 CA2 (0.41) CA2CCNE1CDK2CDK5CDK5R1
SCHEMBL13953030 0.74 GPR35 (0.46) GPR35CA2HPGDMAPTALDH1A1
SCHEMBL15080286 0.73 GPR35 (0.56) GPR35CA2CCNE1CDK2CDK5
SCHEMBL17856924 0.72 PTPN1 (0.38) GPR35CA2CCNE1CDK2CDK5
SCHEMBL138997 0.72 PTPN1 (0.38) GPR35CA2CCNE1CDK2CDK5
SCHEMBL17856889 0.72 GPR35 (0.43) GPR35CA2RORCHPGDMAPT
SCHEMBL140675 0.72 GPR35 (0.52) GPR35CA2CCNE1CDK2CDK5

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