SCHEMBL8156288

SCHEMBL8156288

N#Cc1ccc(COC(=O)C(c2c[nH]cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 2/20 0.38
CHRM3 P20309 2/20 0.37
GAA P10253 2/20 0.36
BACE1 P56817 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL7081435 0.77 KMT2A (0.37)
SCHEMBL5891827 0.76 CYP19A1 (0.36) MAOB
SCHEMBL732273 0.75 GSK3B (0.35) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL731885 0.72 AGER (0.35) MAOB
SCHEMBL3120536 0.70 AGER (0.34)
SCHEMBL8455538 0.69 ALDH1A1 (0.43) L3MBTL1TDP1
SCHEMBL7669882 0.68 VNN1 (0.35) MAOB
SCHEMBL6646091 0.68 MAOB (0.59) MAOBL3MBTL1TDP1GAARAB9A
SCHEMBL7260793 0.67 KCNH2 (0.34)
SCHEMBL7809506 0.67 TSHR (0.37) L3MBTL1TDP1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed