SCHEMBL2880191

SCHEMBL2880191

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
BRD9 Q9H8M2 1/20 0.50
METAP1 P53582 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL2880194 0.93 BRD9 (0.52) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL736662 0.93 POLB (0.49) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL15711990 0.91 LMNA (0.48) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL22735089 0.89 LMNA (0.47) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL1534089 0.89 NPC1 (0.58) LMNAPOLBRXFP1BRD9ALDH1A1
SCHEMBL2940952 0.89 GAA (0.51) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL1794452 0.89 LMNA (0.49) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL21251514 0.88 SMN1; SMN2 (0.47) LMNAPOLBRXFP1BRD9ALDH1A1
SCHEMBL21232396 0.88 LMNA (0.46) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL6811831 0.88 SMN1; SMN2 (0.51) LMNAPOLBRXFP1BRD9ALDH1A1

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-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed