SCHEMBL16085534

SCHEMBL16085534

Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccccc4)sc3C)ccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.79
POLB P06746 2/20 0.79
MAFG O15525 1/20 0.79
HPGD P15428 1/20 0.79
NFE2L2 Q16236 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
LMNA P02545 7/20 0.68
HTT P42858 3/20 0.68
ALDH1A1 P00352 7/20 0.63
MAPT P10636 5/20 0.63
GAA P10253 1/20 0.63
NT5E P21589 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
NPSR1 Q6W5P4 1/20 0.52
USP2 O75604 1/20 0.51
NR2F2 P24468 1/20 0.51
ROCK2 O75116 1/20 0.48

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
SCHEMBL16061908 0.94 SMN1; SMN2 (0.78) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16060376 0.93 SMN1; SMN2 (0.76) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085502 0.93 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085535 0.93 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085529 0.92 SMN1; SMN2 (0.75) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085400 0.92 SMN1; SMN2 (0.70) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085489 0.91 SMN1; SMN2 (0.73) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085446 0.91 SMN1; SMN2 (0.78) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16062205 0.90 SMN1; SMN2 (0.72) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085530 0.89 SMN1; SMN2 (0.92) SMN1; SMN2POLBMAFGHPGDNFE2L2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
US-8728631-B2 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-05-20 US disclosed