SCHEMBL5069803

SCHEMBL5069803

Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.60
MCL1 Q07820 1/20 0.60
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYTH2 Q99418 1/20 0.53
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
POLB P06746 1/20 0.51
CA1 P00915 1/20 0.50
HDAC1 Q13547 1/20 0.47
P4HB P07237 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4128140 0.84 KMT2A (0.48) BCL2L1MCL1KMT2AMEN1ALDH1A1
SCHEMBL23093409 0.78 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL29390524 0.78 ALDH1A1 (0.65) BCL2L1MCL1KMT2AMEN1ALDH1A1
SCHEMBL610080 0.78 ALDH1A1 (0.65) BCL2L1MCL1KMT2AMEN1ALDH1A1
SCHEMBL18392406 0.75 MCL1 (1.00) BCL2L1MCL1
SCHEMBL4122558 0.75 MEN1 (0.62) BCL2L1MCL1KMT2AMEN1ALDH1A1
SCHEMBL29539746 0.75 MCL1 (1.00) BCL2L1MCL1
SCHEMBL5330654 0.75 CA2 (0.69) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL7498033 0.74 CA2 (0.83) KMT2AMEN1ALDH1A1KDM4ECYP3A4
SCHEMBL6577363 0.73 CA2 (0.71) MCL1KMT2AMEN1ALDH1A1KDM4E

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