SCHEMBL623635

SCHEMBL623635

O=C(Nc1nc2cccnc2s1)C(OC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.60
MAPT P10636 1/20 0.47
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
NAMPT P43490 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL184038 0.94 GCK (0.68) GCKMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL184507 0.90 GCK (0.75) GCKALDH1A1KDM4E
SCHEMBL624910 0.87 GCK (0.62) GCK
SCHEMBL624272 0.86 GCK (0.61) GCK
SCHEMBL624182 0.84 GCK (0.66) GCK
SCHEMBL3772862 0.82 GCK (0.58) GCK
SCHEMBL184423 0.81 GCK (0.71) GCK
SCHEMBL185438 0.81 GCK (0.65) GCKALDH1A1KMT2AMEN1KDM4E
SCHEMBL184750 0.80 GCK (0.66) GCKALDH1A1KMT2AMEN1KDM4E
SCHEMBL628093 0.80 ALDH1A1 (0.59) GCKMAPTALDH1A1KMT2AMEN1

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