SCHEMBL14467892

SCHEMBL14467892

NC(=O)[C@@H]1CCCC1Nc1nc(NCc2ccccc2Sc2ccccc2CO)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.43
▸ APP P05067 5/20 0.39
▸ ACHE P22303 5/20 0.39
▸ MERTK Q12866 3/20 0.38
▸ BCHE P06276 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CTNNB1 P35222 4/20 0.37
▸ TCF7L2 Q9NQB0 4/20 0.37
▸ RAD52 P43351 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RCE1 Q9Y256 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
SCHEMBL14256723 1.00 CFD (0.43) CFDAPPACHEMERTKBCHE
SCHEMBL14256696 0.86 LATS1 (0.41) APPACHEMERTKBCHECTNNB1
SCHEMBL14412304 0.84 SMN1; SMN2 (0.35) CFDAPPACHEKDM4EALDH1A1
SCHEMBL14256444 0.82 MERTK (0.53) APPACHEMERTKBCHECTNNB1
SCHEMBL14412248 0.82 APP (0.45) APPACHEMERTKBCHECTNNB1
SCHEMBL14256699 0.81 MERTK (0.52) APPACHEMERTKBCHECTNNB1
SCHEMBL14256861 0.81 IRAK4 (0.40) APPACHEMERTKBCHEIRAK4
SCHEMBL14256725 0.79 IRAK4 (0.52) APPACHEIRAK4KDRAURKB
SCHEMBL14256740 0.78 KMT2A (0.37) APPACHEBCHERAD52KDM4E
SCHEMBL14412272 0.78 CXCR4 (0.52) APPACHEMERTKBCHEKDM4E

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-2007081978-A2 MODULATORS OF HEPATOCYTE GROWTH FACTOR / C-MET ACTIVITY ANGION BIOMEDICA CORPORATION (US) 2007-07-19 — — WO disclosed
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