SCHEMBL11178593

SCHEMBL11178593

COc1ccc2c(c1)C(Br)C(Br)c1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
PTPN1 P18031 2/20 0.46
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
AR P10275 1/20 0.43
TP53 P04637 2/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL8087837 0.79 MEN1 (0.52) EDNRBEDNRAMAPTNPC1RAB9A
SCHEMBL8087901 0.79 MEN1 (0.52) EDNRBEDNRAMAPTNPC1RAB9A
SCHEMBL19164165 0.77 MAPK1 (0.62) EDNRBEDNRATDP1NPC1RAB9A
2-Methoxyanthraquinone SCHEMBL222927 0.76 PTPN1 (0.60) PTPN1MAPTTDP1NPC1HPGD
SCHEMBL9765532 0.76 S100A4 (0.50) EDNRBEDNRAPTPN1MAPTRAB9A
SCHEMBL4645032 0.74 PTPN1 (0.58) PTPN1MAPTTDP1NPC1HPGD
SCHEMBL17439396 0.74 MAPT (0.55) PTPN1MAPTTDP1NPC1HPGD
SCHEMBL6990493 0.72 MAOB (0.52) PTPN1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL23111380 0.71 PTPRC (0.59) PTPN1MAPTTDP1NPC1HPGD
SCHEMBL2997273 0.71 PTPN1 (0.54) PTPN1MAPTTDP1NPC1HPGD

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-4399141-A 5-Alkyl or hydroxyalkyl substituted-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imines and anticonvulsant use thereof MERCK & CO., INC. (US) 1983-08-16 US disclosed