SCHEMBL5057896

SCHEMBL5057896

Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAPT P10636 8/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 3/20 0.41
GUSB P08236 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
HTT P42858 3/20 0.41
NHERF1 O14745 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 3/20 0.40
MEN1 O00255 2/20 0.40
GALR3 O60755 1/20 0.40
TBXA2R P21731 2/20 0.39
MCL1 Q07820 2/20 0.39
BCL2L1 Q07817 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.39
GLRA3 O75311 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
SCHEMBL5061844 0.87 MCL1 (0.49) POLBMAPTKMT2AKDM4EHTT
SCHEMBL5053296 0.85 BCL2L1 (0.53) POLBMAPTKMT2AKDM4ETDP1
SCHEMBL4113997 0.83 MEN1 (0.53) POLBKMT2AGUSBTDP1HTT
SCHEMBL4114244 0.79 KMT2A (0.47) POLBKMT2ATDP1HTTALDH1A1
SCHEMBL4137570 0.76 SMN1; SMN2 (0.42) POLBKMT2ATDP1HTTNHERF1
SCHEMBL4121020 0.75 TXNRD1 (0.52) MAPTKMT2ATDP1HTTALDH1A1
SCHEMBL4128042 0.75 MEN1 (0.43) POLBMAPTKMT2AKDM4ETDP1
SCHEMBL4127131 0.75 KMT2A (0.49) MAPTKMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL4114911 0.75 KMT2A (0.50) POLBKMT2ATDP1HTTALDH1A1
SCHEMBL11764473 0.74 GLRA3 (0.57) POLBKMT2ATDP1HTTALDH1A1

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-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO claimed