SCHEMBL7939446

SCHEMBL7939446

COC(Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1)OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
TSHR P16473 2/20 0.58
THRB P10828 1/20 0.58
TP53 P04637 2/20 0.57
MAPK1 P28482 2/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
CDC25A P30304 1/20 0.55
CDC25B P30305 1/20 0.55
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
IDO1 P14902 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53
KDM4C Q9H3R0 1/20 0.53

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
SCHEMBL7930229 0.95 GAA (0.64) GAATSHRTHRBTP53MAPK1
SCHEMBL13831908 0.93 TP53 (0.65) GAATP53RAB9ASMN1; SMN2MAPT
SCHEMBL7941803 0.92 TP53 (0.57) GAATP53RAB9ASMN1; SMN2MAPT
SCHEMBL7939275 0.91 GAA (0.60) GAATSHRTHRBTP53MAPK1
SCHEMBL13856863 0.88 TP53 (0.55) TP53RAB9ASMN1; SMN2MAPTALOX15
SCHEMBL13831362 0.87 TDP1 (0.59) GAATSHRTP53SMN1; SMN2MAPT
SCHEMBL13832011 0.85 ALDH1A1 (0.61) GAATSHRTP53MAPK1SMN1; SMN2
SCHEMBL15983367 0.85 NPC1 (0.54) GAATSHRTP53RAB9ASMN1; SMN2
SCHEMBL13831511 0.83 TP53 (0.53) GAATSHRTP53RAB9ASMN1; SMN2
SCHEMBL4201329 0.81 MAPT (0.69) GAATSHRTHRBMAPK1RAB9A

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-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US claimed