SCHEMBL16085530

SCHEMBL16085530

Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc5c(c4)OCCO5)sc3C)ccc21

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.92
POLB P06746 2/20 0.92
MAFG O15525 1/20 0.92
HPGD P15428 1/20 0.92
NFE2L2 Q16236 1/20 0.92
L3MBTL1 Q9Y468 1/20 0.92
LMNA P02545 5/20 0.80
HTT P42858 3/20 0.80
ALDH1A1 P00352 7/20 0.70
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.56
NT5E P21589 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
NR2F2 P24468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ESR1 P03372 1/20 0.46
USP2 O75604 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
SCHEMBL16085609 0.96 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL30440736 0.96 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL29419037 0.96 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085535 0.90 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085502 0.90 SMN1; SMN2 (0.81) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085439 0.89 SMN1; SMN2 (0.88) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085534 0.89 SMN1; SMN2 (0.79) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085434 0.89 SMN1; SMN2 (0.87) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085453 0.89 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16061908 0.88 SMN1; SMN2 (0.78) 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 2 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