SCHEMBL6623929

SCHEMBL6623929

Cc1cc([N+](=O)[O-])c2c(c1Oc1ccc(OCc3ccccc3)c(C(C)C)c1)C(F)C(F)C2F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SGMS2 Q8NHU3 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
THRB P10828 2/20 0.35
RORC P51449 1/20 0.35
GLRA1 P23415 1/20 0.35
POLB P06746 1/20 0.35
CTSV O60911 4/20 0.35
CTSL P07711 4/20 0.35
THRA P10827 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL5398175 0.82 THRB (0.43) MAPTMEN1KMT2ASGMS2NPC1
SCHEMBL8799741 0.81 MEN1 (0.47) MAPTMEN1KMT2ATHRBRORC
SCHEMBL5404873 0.77 POLB (0.38) MAPTMEN1KMT2ASGMS2NPC1
SCHEMBL5391540 0.76 POLB (0.39) MAPTMEN1KMT2ASGMS2NPC1
SCHEMBL5401768 0.76 THRB (0.44) MAPTMEN1KMT2ASGMS2NPC1
SCHEMBL9960150 0.70 POLB (0.48) MAPTMEN1KMT2ASGMS2GLRA1
SCHEMBL5399271 0.69 POLB (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5404292 0.68 THRB (0.43) THRBRORCGLRA1THRA
SCHEMBL5397627 0.68 THRB (0.43) SGMS2THRBRORCGLRA1THRA
SCHEMBL5401387 0.68 THRB (0.50) THRBTHRA

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
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP disclosed