SCHEMBL6533768

SCHEMBL6533768

CC(=O)Nc1ccc(/C=C/c2ccccc2S(=O)(=O)O)c(S(=O)(=O)O)c1N=C=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 4/20 0.44
RAD1 O60671 1/20 0.44
P2RY6 Q15077 1/20 0.44
ENPP2 Q13822 1/20 0.42
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
CYP3A4 P08684 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.34
LTA P01374 2/20 0.34
P2RX3 P56373 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CASP6 P55212 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6533773 1.00 RAD51 (0.44) RAD51RAD1P2RY6ENPP2APEX1
SCHEMBL10622332 0.83 APEX1 (0.47) RAD51RAD1P2RY6ENPP2APEX1
SCHEMBL2834143 0.81 RAD1 (0.51) RAD51RAD1P2RY6APEX1ALDH1A1
SCHEMBL156114 0.80 RAD1 (0.50) RAD51RAD1P2RY6APEX1ALDH1A1
SCHEMBL30727492 0.79 P2RY6 (0.63) RAD51RAD1P2RY6ENPP2APEX1
SCHEMBL3130034 0.79 P2RY6 (0.63) RAD51RAD1P2RY6ENPP2APEX1
Acridine SCHEMBL5792145 0.75 RAD1 (0.53) RAD51RAD1P2RY6ENPP2APEX1
Acridine SCHEMBL6039596 0.75 RAD1 (0.53) RAD51RAD1P2RY6ENPP2APEX1
SCHEMBL5364759 0.74 RAD1 (0.51) RAD51RAD1P2RY6APEX1ALDH1A1
SCHEMBL344713 0.74 RAD1 (0.51) RAD51RAD1P2RY6APEX1ALDH1A1

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-20050032056-A1 Using conserved transcribed but nontranslated sequences to identify polymorphism in grass plant genomes; gene expression analysis and restriction fragment length polymorphism NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-10 US disclosed