SCHEMBL2346300

SCHEMBL2346300

Cc1ccc(NC(=O)C2CCCCC2)cc1-c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.61
▸ ABL1 P00519 1/20 0.58
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ HIF1A Q16665 5/20 0.54
▸ EPAS1 Q99814 5/20 0.54
▸ TP53 P04637 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ USP2 O75604 1/20 0.52
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 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
SCHEMBL2346102 0.93 MAPK14 (0.65) MAPK14ABL1LMNA
SCHEMBL2352219 0.90 ABL1 (0.64) MAPK14ABL1LMNA
SCHEMBL2347964 0.89 ABL1 (0.65) MAPK14ABL1RAB9ANPC1ALDH1A1
SCHEMBL2347532 0.85 MAPK14 (0.71) MAPK14ABL1
SCHEMBL14344806 0.85 ABL1 (0.62) MAPK14ABL1
SCHEMBL12459047 0.84 ALDH1A1 (0.65) MAPK14ABL1RAB9ANPC1MAPT
SCHEMBL2914470 0.84 HIF1A (0.64) RAB9ANPC1MAPK1SMN1; SMN2LMNA
SCHEMBL3919974 0.83 ABL1 (0.63) MAPK14ABL1RAB9ANPC1ALDH1A1
SCHEMBL2346050 0.82 ABL1 (0.67) MAPK14ABL1
SCHEMBL2346273 0.82 RAB9A (0.61) MAPK14RAB9ANPC1MAPK1SMN1; SMN2

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-8008303-B2 e.g. 6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-bromo-phenyl)-amide]-[(4 morpholin-4-yl-phenyl)-amide]; viricide; with other active viricide such as interferon or ribavirin ASTRAZENECA AB (SE) 2011-08-30 — — US disclosed
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