SCHEMBL9302895

SCHEMBL9302895

Cc1ccc(Br)c(Br)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 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
SCHEMBL28649266 0.83 KDM1A (0.44) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL27450952 0.81 FEN1 (0.43) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL12772155 0.81 HTR1A (0.50) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL26823922 0.80 PTPN1 (0.44) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL23883618 0.79 KDM1A (0.50) MAPTTHRATHRBGAALMNA
SCHEMBL18716386 0.77 HTR1A (0.61) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL28668399 0.77 KDM1A (0.48) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL21050869 0.77 TSHR (0.45) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL10481833 0.77 L3MBTL1 (0.53) PTPN1MAPTL3MBTL1MAPK1TDP1
SCHEMBL8762012 0.76 MAPT (0.62) PTPN1MAPTL3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310750-A Heterocyclic compounds useful as α2 -adrenoceptor antagonists BEECHAM GROUP P.L.C. (GB) 1994-05-10 US disclosed
EP-0313288-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALPHA 2-ADRENO-RECEPTOR ANTAGONISTS BEECHAM GROUP PLC (GB) 1992-12-30 EP disclosed
US-5021445-A Hyperglycemic and hypertensive agents; anticoagulants, alpha2-adrenoceptor antagonists BEECHAM GROUP P.L.C. (GB) 1991-06-04 US disclosed
EP-0313288-A1 Imidazole derivatives, process for their preparation and their use as alpha 2-adreno-receptor antagonists BEECHAM GROUP PLC (GB) 1989-04-26 EP disclosed