SCHEMBL7057720

SCHEMBL7057720

CCOC(=O)c1cn(Cc2ccncc2)c2ccc(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
LMNA P02545 1/20 0.54
KMT2A Q03164 3/20 0.52
MAPT P10636 6/20 0.49
RXFP1 Q9HBX9 1/20 0.49
P2RX3 P56373 1/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3003393 0.88 LMNA (0.54) THRBLMNAKMT2AMAPTP2RX3
SCHEMBL7056189 0.85 LMNA (0.56) THRBLMNAKMT2AMAPTRXFP1
SCHEMBL2930235 0.82 THRB (0.63) THRBLMNAKMT2AMAPTRXFP1
SCHEMBL5962230 0.82 LMNA (0.53) THRBLMNAKMT2AMAPTP2RX3
SCHEMBL7123296 0.81 P2RX3 (0.55) LMNAKMT2AMAPTP2RX3MEN1
SCHEMBL10341159 0.79 LMNA (0.55) THRBLMNAKMT2AMAPTMEN1
SCHEMBL7055648 0.78 PDE4A (0.66) THRBKMT2AMAPTRXFP1MEN1
Hydrochloric Acid SCHEMBL7058185 0.78 PDE4A (0.65) THRBKMT2AMAPTRXFP1MEN1
SCHEMBL2937117 0.78 THRB (0.62) THRBKMT2AMAPTRXFP1MEN1
SCHEMBL17346999 0.77 LMNA (0.76) THRBLMNAKMT2AMAPTP2RX3

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-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 US disclosed