SCHEMBL5160482

SCHEMBL5160482

CNC(=O)CC(=O)c1cc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.57
ALDH1A1 P00352 8/20 0.56
MAPT P10636 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ATM Q13315 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL5158643 0.85 TAS1R3 (0.55) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL3032755 0.84 FLT3 (0.61) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL5158485 0.82 FLT3 (0.62) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL10155752 0.82 FLT3 (0.67) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL5163100 0.81 FLT3 (0.57) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL2327568 0.81 LMNA (0.66) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL353911 0.80 NPC1 (0.66) FLT3ALDH1A1MAPTTAS1R3TAS1R1
SCHEMBL5163569 0.80 ALDH1A1 (0.56) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL10313745 0.78 FLT3 (0.67) FLT3ALDH1A1MAPTL3MBTL1TAS1R3
SCHEMBL28117952 0.78 FLT3 (0.67) FLT3ALDH1A1MAPTL3MBTL1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP disclosed