SCHEMBL1743409

SCHEMBL1743409

CCOC(=O)c1ccc(F)cc1F.CCOC(=O)c1ccc(F)cc1Oc1ccc2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
THRA P10827 3/20 0.46
THRB P10828 3/20 0.46
MAOA P21397 2/20 0.42
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL1744415 0.96 KDR (0.52) KDRTHRATHRBMAOANPC1
SCHEMBL1958016 0.86 SCN9A (0.47) KDRNPC1TSHRMEN1KMT2A
SCHEMBL1701648 0.84 KDR (0.48) KDRTHRATHRBMAOANPC1
SCHEMBL26669799 0.83 KDR (0.52) KDRTHRATHRBMAOANPC1
SCHEMBL1743476 0.83 TSHR (0.43) KDRMAOANPC1AHRTSHR
SCHEMBL1956717 0.82 TSHR (0.42) KDRTSHRMEN1KMT2AL3MBTL1
SCHEMBL1954871 0.81 JAK2 (0.46) KDRNPC1TSHRMEN1KMT2A
SCHEMBL2502868 0.81 HPGD (0.48) KDRNPC1TSHRMEN1KMT2A
SCHEMBL1957307 0.80 THRA (0.53) KDRTHRATHRBMAOANPC1
SCHEMBL1959018 0.79 TSHR (0.41) KDRTHRATHRBMAOATSHR

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-2387559-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
WO-2010083442-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed