SCHEMBL7930229

SCHEMBL7930229

COC(Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1)OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
TSHR P16473 2/20 0.61
MAPK1 P28482 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TP53 P04637 2/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 5/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.52
THRB P10828 1/20 0.51

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
SCHEMBL7939275 0.96 GAA (0.60) GAATSHRMAPK1L3MBTL1TP53
SCHEMBL7939446 0.95 GAA (0.59) GAATSHRMAPK1L3MBTL1TP53
SCHEMBL13831908 0.88 TP53 (0.65) GAAL3MBTL1TP53POLBLMNA
SCHEMBL7941803 0.87 TP53 (0.57) GAATP53POLBLMNAMAPT
SCHEMBL13831362 0.84 TDP1 (0.59) GAATSHRL3MBTL1TP53POLB
SCHEMBL13856863 0.83 TP53 (0.55) TP53POLBLMNAMEN1KMT2A
SCHEMBL20682668 0.82 GAA (0.71) GAATSHRMAPK1TP53POLB
SCHEMBL4198392 0.81 LMNA (0.84) GAATSHRMAPK1L3MBTL1TP53
SCHEMBL15983367 0.81 NPC1 (0.54) GAATSHRTP53POLBLMNA
SCHEMBL13831511 0.80 TP53 (0.53) GAATSHRTP53POLBLMNA

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