SCHEMBL4723317

SCHEMBL4723317

Oc1cc(Cl)ccc1Oc1cncc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 1/20 0.50
HSPA5 P11021 1/20 0.50
HPGD P15428 1/20 0.50
CBR1 P16152 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
AGTR1 P30556 1/20 0.50
SLC6A3 Q01959 1/20 0.50
EPAS1 Q99814 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4416209 0.79 TTR (0.58) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL2058923 0.78 TTR (0.53) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL28824294 0.77 KCNH2 (0.46)
SCHEMBL29707595 0.77 KCNH2 (0.46)
Soneclosan SCHEMBL29359126 0.75 TTR (0.66) TTRNR1I2LMNAPGRHSP90AA1
Soneclosan SCHEMBL465591 0.75 TTR (0.66) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL10540653 0.74 TTR (0.83) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL4586762 0.73 TTR (0.63) TTRNR1I2LMNAPGRHSP90AA1
SCHEMBL23087217 0.73 XDH (0.49) LMNA
SCHEMBL23087679 0.73 CHRNB2 (0.44) EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912935-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007015809-A2 HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed