SCHEMBL625071

SCHEMBL625071

CN1CCc2sc(NC(=O)C(OC3CCC4(CCCCC4)C3)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.48
LMNA P02545 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 5/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
F10 P00742 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL624715 0.79 GCK (0.57) GCK
SCHEMBL185089 0.77 GCK (0.65) GCKLMNARXFP1KMT2ATP53
SCHEMBL626672 0.72 GCK (0.62) GCKLMNAKMT2AALDH1A1USP2
SCHEMBL625438 0.71 GCK (0.47) GCKLMNAALDH1A1USP2SMN1; SMN2
SCHEMBL623747 0.70 GCK (0.48) GCKLMNAALDH1A1USP2SMN1; SMN2
SCHEMBL623767 0.70 GCK (0.64) GCK
SCHEMBL626401 0.68 GCK (0.56) GCKLMNAKMT2AALDH1A1USP2
SCHEMBL627263 0.68 GCK (0.51) GCK
SCHEMBL628093 0.67 ALDH1A1 (0.59) GCKLMNARXFP1KMT2AALDH1A1
SCHEMBL623635 0.67 GCK (0.60) GCKLMNAKMT2AALDH1A1USP2

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 disclosed