SCHEMBL2880194

SCHEMBL2880194

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.52
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
BRD4 O60885 1/20 0.46
METAP1 P53582 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CNR2 P34972 1/20 0.43
P2RX7 Q99572 1/20 0.43
AKT1 P31749 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ELANE P08246 1/20 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
SCHEMBL2880191 0.93 LMNA (0.54) BRD9LMNAPOLBRXFP1BRD4
SCHEMBL1534089 0.86 NPC1 (0.58) BRD9LMNAPOLBRXFP1NPC1
SCHEMBL736662 0.86 POLB (0.49) BRD9LMNAPOLBRXFP1BRD4
SCHEMBL2829176 0.85 POLB (0.56) POLBRXFP1NPC1RAB9AMEN1
SCHEMBL15711990 0.84 LMNA (0.48) BRD9LMNAPOLBRXFP1BRD4
SCHEMBL22735089 0.83 LMNA (0.47) BRD9LMNAPOLBRXFP1BRD4
SCHEMBL29991524 0.83 POLB (0.50) LMNAPOLBRXFP1MEN1GAA
SCHEMBL222446 0.83 RXFP1 (0.55) BRD9LMNAPOLBRXFP1NPC1
SCHEMBL29702265 0.83 RXFP1 (0.55) BRD9LMNAPOLBRXFP1NPC1
SCHEMBL13980716 0.83 POLB (0.50) LMNAPOLBRXFP1MEN1GAA

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