SCHEMBL9720001

SCHEMBL9720001

COC(=O)c1cc(Cl)c(Cl)cc1C(C)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
ABL1 P00519 1/20 0.40
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10136528 0.86 HTT (0.48) HTTGAAABL1SLC6A3MEN1
SCHEMBL23728148 0.84 CFTR (0.42) HTTGAALMNAKDM4EMAPT
SCHEMBL28068824 0.80 ABL1 (0.57) HTTABL1SLC6A3MEN1LMNA
SCHEMBL4278397 0.80 ABL1 (0.53) HTTABL1SLC6A3MEN1LMNA
SCHEMBL28015554 0.79 LMNA (0.38) GAASLC6A3LMNASMN1; SMN2HPGD
SCHEMBL1953848 0.79 GAA (0.58) HTTGAAABL1SLC6A3MEN1
SCHEMBL31739075 0.76 SOS1 (0.40) SLC6A3LMNASMN1; SMN2HPGDKDM4E
SCHEMBL19328690 0.75 GAA (0.55) HTTGAAABL1MEN1LMNA
SCHEMBL70011 0.75 GAA (0.58) HTTGAAABL1MEN1LMNA
SCHEMBL16034830 0.75 NR4A2 (0.48) HTTGAASLC6A3SMN1; SMN2HPGD

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
US-5151435-A Hypotensive agents, glaucoma and cognition activators MERCK & CO., INC. (US) 1992-09-29 US disclosed