SCHEMBL626401

SCHEMBL626401

CC(C)(C(=O)O)c1nc(NC(=O)C(OC2CCCCCC2)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11972007 0.81 GCK (0.65) GCK
SCHEMBL628093 0.79 ALDH1A1 (0.59) GCKSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL623036 0.79 GCK (0.79) GCK
SCHEMBL624684 0.78 GCK (0.54) GCKSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL623635 0.76 GCK (0.60) GCKSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL185118 0.74 GCK (0.90) GCK
SCHEMBL623504 0.73 GCK (0.49) GCKSMN1; SMN2ALDH1A1NPC1USP2
SCHEMBL11971963 0.72 GCK (0.77) GCK
SCHEMBL623754 0.72 GLA (0.51) GCKSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL184720 0.72 GCK (0.91) GCKSMN1; SMN2HPGDALDH1A1NPC1

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