SCHEMBL22792005

SCHEMBL22792005

CC(C)(C)OC(=O)Nc1ncc2c(Cl)cccc2c1C#CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
NR3C1 P04150 2/20 0.39
LMNA P02545 2/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL29978778 0.86 STS (0.45) STSMEN1KMT2ALMNAMAPT
SCHEMBL22776965 0.86 STS (0.45) STSMEN1KMT2ALMNAMAPT
SCHEMBL16035623 0.85 STS (0.42) STSMEN1KMT2APTPN2PTPN1
SCHEMBL16041310 0.81 USP30 (0.40) STSPTPN2PTPN1PTPN6MAPT
SCHEMBL23580318 0.80 MAPK8 (0.49) STSMEN1KMT2AMAPT
SCHEMBL16040618 0.77 ATR (0.39) STSMEN1KMT2APTPN2PTPN1
SCHEMBL16041151 0.76 ANO1 (0.38) STSMEN1KMT2APTPN2PTPN1
SCHEMBL16040957 0.74 NR3C1 (0.39) STSPTPN2PTPN1PTPN6NR3C1
SCHEMBL25258371 0.74 GPR119 (0.44) STSMEN1KMT2AMAPTGPR119
SCHEMBL22530217 0.74 STS (0.46) STSMEN1KMT2APTPN2PTPN1

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-2020251974-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed