SCHEMBL9212754

SCHEMBL9212754

C=C1c2ccccc2C=Cc2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.42
CYP1A2 P05177 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 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
SCHEMBL9208747 0.88 PTPRC (0.42) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL9204207 0.82 LMNA (0.48) PTPRCCYP1A2ALOX15MEN1LMNA
SCHEMBL18470982 0.78 PTPRC (0.48) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL19001696 0.77 PTPRC (0.57) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL13828210 0.77 PTPRC (0.57) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL18470983 0.76 PTPRC (0.52) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL18470981 0.76 PTPRC (0.47) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL9206728 0.72 PTPRC (0.35) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL9206731 0.72 PTPRC (0.35) PTPRCCYP1A2TDP1L3MBTL1MAPK1
SCHEMBL205625 0.71 S100A4 (0.56) PTPRCTDP1L3MBTL1MAPK1ALOX15

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
EP-0319073-B1 Cyclo-octane neuroprotective agents MERCK SHARP & DOHME (GB) 1995-08-23 EP disclosed
US-4927819-A ANTICONVULSANT, PREVENTION OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1990-05-22 US disclosed
EP-0319073-A2 Cyclo-octane neuroprotective agents MERCK SHARP & DOHME LTD. (GB) 1989-06-07 EP disclosed