SCHEMBL1807771

SCHEMBL1807771

O=C(O)CNCc1ccoc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ALOX5 P09917 1/20 0.42
FAAH O00519 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CNR2 P34972 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.38
NR4A2 P43354 1/20 0.38
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
TPH1 P17752 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL14189534 0.84 FAAH (0.44) TSHRSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL9903586 0.84 ALOX5 (0.49) TSHRSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL11623673 0.75 ALDH1A1 (0.47) TSHRSLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL1219531 0.75 KEAP1 (0.54) SLC1A3SLC1A2SLC1A1ALOX5CNR2
SCHEMBL6421867 0.75 MEN1 (0.52) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL3878505 0.74
SCHEMBL156664 0.74 MEN1 (0.56) ALDH1A1MEN1RECQLKMT2ATDP1
SCHEMBL27581980 0.73 MMP12 (0.53) TSHRSLC1A3SLC1A2SLC1A1ALOX5
Hydrochloric Acid SCHEMBL1252387 0.72 MEN1 (0.54) ALDH1A1MEN1MAPTRECQLKMT2A
SCHEMBL13123466 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109581-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2013-05-02 US disclosed
EP-2496947-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS Novartis AG (CH) 2012-09-12 EP disclosed
WO-2011057029-A1 POSITIVELY CHARGED SPECIES AS BINDING REAGENTS IN THE SEPARATION OF PROTEIN AGGREGATES FROM MONOMERS NOVARTIS AG (CH) 2011-05-12 WO disclosed