SCHEMBL7941803

SCHEMBL7941803

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 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
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
ANXA2 P07355 1/20 0.54
S100A10 P60903 1/20 0.54
POLB P06746 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL13831908 0.93 TP53 (0.65) TP53RAB9ASMN1; SMN2MAPTALOX15
SCHEMBL7939446 0.92 GAA (0.59) TP53RAB9ASMN1; SMN2MAPTALOX15
SCHEMBL7939275 0.91 GAA (0.60) TP53MAPTALOX15LMNAALDH1A1
SCHEMBL13856863 0.88 TP53 (0.55) TP53RAB9ASMN1; SMN2MAPTALOX15
SCHEMBL13831362 0.87 TDP1 (0.59) TP53SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL7930229 0.87 GAA (0.64) TP53MAPTALOX15LMNAALDH1A1
SCHEMBL15986095 0.87 LMNA (0.67) TP53RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL13832011 0.85 ALDH1A1 (0.61) TP53SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL15983367 0.85 NPC1 (0.54) TP53RAB9ASMN1; SMN2MAPTALOX15
SCHEMBL13831511 0.83 TP53 (0.53) TP53RAB9ASMN1; SMN2MAPTALOX15

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