SCHEMBL627461

SCHEMBL627461

NC(C(=O)Nc1nc2c(s1)CCCC2)c1ccc(S(=O)(=O)C2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.65
ALDH1A1 P00352 8/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 3/20 0.42

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
SCHEMBL626483 0.85 GCK (0.65) GCKALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL185238 0.79 GCK (0.77) GCK
SCHEMBL626912 0.77 GCK (0.52) GCKALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL627287 0.76 GCK (0.51) GCKALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL624715 0.73 GCK (0.57) GCK
SCHEMBL6700167 0.70 TSHR (0.62) ALDH1A1LMNASMN1; SMN2MAPK1HSD17B10
SCHEMBL626672 0.69 GCK (0.62) GCKALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL9891915 0.68 TSHR (0.66) ALDH1A1LMNASMN1; SMN2MAPK1HSD17B10
SCHEMBL6164890 0.67 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL2651985 0.67 GCK (0.60) GCKALDH1A1LMNASMN1; SMN2HSD17B10

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