SCHEMBL1720734

SCHEMBL1720734

CC(C)(C)OC(=O)N[C@@]1(Cc2ccccc2)CNC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP4 P27487 3/20 0.34
SCN9A Q15858 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM4 P08173 1/20 0.33
GRIN2B Q13224 1/20 0.33
CHRM3 P20309 1/20 0.33
AKT1 P31749 2/20 0.32
JAK2 O60674 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL459152 0.93 CTSS (0.36) KMT2AATMMEN1CTSSCTSK
SCHEMBL459500 0.92 HTT (0.34) KMT2AATMMEN1CA12CA1
SCHEMBL457233 0.91 KMT2A (0.32) KMT2AATMMEN1CTSSCA12
SCHEMBL462003 0.91 IDO1 (0.36) KMT2AATMCTSSCTSKSCN9A
SCHEMBL462095 0.86 RORC (0.36) KMT2AATMCTSSCTSKSCN9A
SCHEMBL2013227 0.86 CA12 (0.34) KMT2ACTSSDPP8DPP9CA12
SCHEMBL1726610 0.82 KMT2A (0.37) KMT2ACTSSCTSKCA12CA1
SCHEMBL2016334 0.82 SLC6A2 (0.39) KMT2AL3MBTL1
SCHEMBL2012019 0.81 KDM1A (0.39) KMT2ACA12CA1CA7CA14
SCHEMBL2226908 0.79 KMT2A (0.36) KMT2AATMCA12CA1CA7

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-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed