SCHEMBL624684

SCHEMBL624684

O=C(O)c1nc(NC(=O)C(OC2CCCC2)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc1Oc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.54
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL623317 0.88 GCK (0.51) GCK
SCHEMBL624279 0.83 GCK (0.58) GCK
SCHEMBL11972527 0.81 GCK (0.62) GCK
SCHEMBL628093 0.80 ALDH1A1 (0.59) GCKTP53RXFP1ALDH1A1NPC1
SCHEMBL626401 0.78 GCK (0.56) GCKTP53ALDH1A1NPC1USP2
SCHEMBL623036 0.77 GCK (0.79) GCK
SCHEMBL623635 0.74 GCK (0.60) GCKALDH1A1NPC1USP2HPGD
SCHEMBL185118 0.72 GCK (0.90) GCK
SCHEMBL11972084 0.72 GCK (0.63) GCK
SCHEMBL623767 0.72 GCK (0.64) 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 2 patents. 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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed