SCHEMBL5668385

SCHEMBL5668385

CC(=O)Nc1c[c]ccc1-c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.63
▸ MAPT P10636 7/20 0.59
▸ TP53 P04637 6/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ ADORA1 P30542 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 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
SCHEMBL9042466 0.84 KDM4E (0.81) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL5667542 0.79 KDM4E (0.65) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL30714903 0.78 THRB (0.63) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL5615796 0.77 KDM4E (0.62) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL27742119 0.76 RAB9A (0.61) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL13833632 0.74 KDM4E (0.58) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL9871137 0.74 ALDH1A1 (0.49) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2246115 0.74 MAPT (1.00) KDM4EMAPTTP53RAB9AMEN1
SCHEMBL7470729 0.73 KDM4E (0.46) KDM4EMAPTRAB9AMEN1KMT2A
SCHEMBL2243594 0.71 TP53 (1.00) KDM4EMAPTTP53RAB9AMEN1

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
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 — — WO disclosed
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