SCHEMBL17504249

SCHEMBL17504249

CC(=O)C(c1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACP3 P15309 1/20 0.42
S1PR2 O95136 4/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR4 O95977 3/20 0.41
CNR1 P21554 2/20 0.41
ADRA1D P25100 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CNR2 P34972 1/20 0.38
TRPM8 Q7Z2W7 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
SCHEMBL22917154 0.93 ACP3 (0.47) BRD4MEN1KMT2AACP3ADRA1D
SCHEMBL22917201 0.91 MEN1 (0.53) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL28419252 0.85 BRD4 (0.55) BRD4HDAC4HDAC7HDAC5MEN1
SCHEMBL2302648 0.85 HDAC4 (0.51) BRD4HDAC4HDAC7HDAC5MEN1
SCHEMBL10882007 0.85 BRD4 (0.63) BRD4HDAC4HDAC7HDAC5MEN1
SCHEMBL22917146 0.85 TRPM8 (0.44) MEN1KMT2AACP3S1PR3TRPM8
SCHEMBL22917155 0.83 HDAC4 (0.53) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL2303105 0.80 UGT2B7 (0.47) BRD4HDAC4HDAC7HDAC5MEN1
SCHEMBL12495860 0.79 ALDH1A1 (0.48) MEN1KMT2AACP3ADRA1DALDH1A1
SCHEMBL28302075 0.78 BRD4 (0.55) BRD4HDAC4HDAC7HDAC5MEN1

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-3180345-A1 THIENO- AND FURO[2,3-D]PYRIMIDINE-2,4[1H,3H]-DIONE DERIVATIVES AS TRPC5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Hydra Biosciences, Inc. (US) 2017-06-21 EP disclosed
WO-2016023832-A1 THIENO- AND FURO[2,3-D]PYRIMIDINE-2,4[1H,3H]-DIONE DERIVATIVES AS TRPC5 MODULATORS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed