SCHEMBL8430722

SCHEMBL8430722

Cc1cc(CBr)n(Cc2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 3/20 0.45
KCNJ6 P48051 2/20 0.43
KCNJ5 P48544 2/20 0.43
KCNJ3 P48549 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.42
NR1H3 Q13133 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4359364 0.86 PTGS2 (0.47) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL8428544 0.85 PTGS2 (0.46) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL1030028 0.82 KDM4E (0.46) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL1030401 0.82 BRD4 (0.45) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL5809545 0.81 PTGS2 (0.46) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL4352690 0.81 POLB (0.49) PTGS2POLBKCNJ6KCNJ5KCNJ3
SCHEMBL17673290 0.81 PTGS2 (0.48) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL3322508 0.80 LMNA (0.61) PTGS2KDM4EPOLBGAALMNA
SCHEMBL12402397 0.77 PTGS2 (0.48) PTGS2KDM4EPOLBKCNJ6KCNJ5
SCHEMBL1374365 0.77 POLB (0.73) PTGS2KDM4EPOLBGAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
EP-0755384-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1997-01-29 EP disclosed
WO-1995028391-A1 CCK OR GASTRIN MODULATING 1,5 BENZODIAZEPINES DERIVATIVES GLAXO WELLCOME INC. (US) 1995-10-26 WO disclosed