SCHEMBL628093

SCHEMBL628093

O=C(Nc1nc2ccc(F)cc2s1)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 3/20 0.59
USP2 O75604 3/20 0.59
NPC1 O15118 1/20 0.59
GCK P35557 4/20 0.57
TP53 P04637 3/20 0.57
RXFP1 Q9HBX9 3/20 0.57
LMNA P02545 4/20 0.55
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
ESR1 P03372 1/20 0.52
HTT P42858 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 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
SCHEMBL627708 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDHSD17B10USP2
SCHEMBL624684 0.80 GCK (0.54) ALDH1A1SMN1; SMN2HPGDHSD17B10USP2
SCHEMBL623036 0.80 GCK (0.79) GCK
SCHEMBL623635 0.80 GCK (0.60) ALDH1A1SMN1; SMN2HPGDHSD17B10USP2
SCHEMBL626401 0.79 GCK (0.56) ALDH1A1SMN1; SMN2HPGDHSD17B10USP2
SCHEMBL185118 0.77 GCK (0.90) GCK
SCHEMBL184720 0.76 GCK (0.91) ALDH1A1SMN1; SMN2HPGDHSD17B10USP2
SCHEMBL184038 0.76 GCK (0.68) ALDH1A1SMN1; SMN2GCKMAPK1MAPT
SCHEMBL626280 0.76 GCK (0.60) GCK
SCHEMBL11971963 0.74 GCK (0.77) GCK

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-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed