SCHEMBL6234804

SCHEMBL6234804

CCNc1cc(C=C2SC(=O)NC2=O)ccc1[N+](=O)[O-].O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])c(F)c2)S1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
IGF1R P08069 2/20 0.49
HPGD P15428 4/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ESRRA P11474 5/20 0.47
MAPT P10636 2/20 0.46
MCL1 Q07820 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GFER P55789 1/20 0.46
TDP2 O95551 1/20 0.46
CASP7 P55210 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
SCHEMBL6234802 1.00 GSK3B (0.54) GSK3BIGF1RHPGDMGAMGAA
SCHEMBL2882685 0.94 GSK3B (0.60) GSK3BIGF1RHPGDMGAMGAA
SCHEMBL2882683 0.94 GSK3B (0.60) GSK3BIGF1RHPGDMGAMGAA
SCHEMBL2882560 0.87 GSK3B (0.68) GSK3BIGF1RHPGDMGAMGAA
SCHEMBL2882561 0.87 GSK3B (0.68) GSK3BIGF1RHPGDMGAMGAA
SCHEMBL2880421 0.76 PIM1 (0.55) GSK3BIGF1RHPGDPIM1PIM2
SCHEMBL2880397 0.76 PIM1 (0.55) GSK3BIGF1RHPGDPIM1PIM2
SCHEMBL4852825 0.73 GSK3B (0.81) GSK3BIGF1RHPGDESRRAMAPT
SCHEMBL4852830 0.73 GSK3B (0.81) GSK3BIGF1RHPGDESRRAMAPT
SCHEMBL9831864 0.70 GSK3B (1.00) GSK3BIGF1RHPGDMGAMGAA

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-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 WO disclosed