SCHEMBL16880943

SCHEMBL16880943

Cc1ccc2onc(N(C(=O)O)C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TP53 P04637 6/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 2/20 0.36
POLB P06746 2/20 0.35
FAAH O00519 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1759441 0.94 MAPT (0.46) MAPTTP53LMNATHRBPOLB
SCHEMBL16880936 0.84 AKT1 (0.35) MAPTTP53LMNAFAAHHTR2C
SCHEMBL16059449 0.82 ALDH1A1 (0.34) POLBFAAHKMT2A
SCHEMBL14933657 0.81 ESR1 (0.42) MAPTFAAHMEN1HTTKMT2A
SCHEMBL8265372 0.80 SOS1 (0.39) MAPTTP53FAAHHTTKMT2A
SCHEMBL7239984 0.79 LMNA (0.43) MAPTLMNAPOLBMEN1HTT
SCHEMBL1759492 0.77 PDPK1 (0.35) MAPTFAAHHTR2CKMT2A
SCHEMBL12636119 0.77 HIF1A (0.38) MAPTTP53MEN1KMT2A
SCHEMBL16880854 0.77 KMT2A (0.40) MAPTPOLBMEN1KMT2A
SCHEMBL16062000 0.75 ALDH1A1 (0.32) KMT2A

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
EP-3089746-A1 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2016-11-09 EP disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed