SCHEMBL2223402

SCHEMBL2223402

N#CCCCC(Cc1coc(-c2ccc(F)cc2)n1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PDE4B Q07343 3/20 0.36
PDE4D Q08499 1/20 0.36
ADORA1 P30542 1/20 0.35
TPH1 P17752 2/20 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
SCHEMBL2221808 0.77 HDAC8 (0.37) LMNAGAATSHRKMT2AHPGD
SCHEMBL2223408 0.76 HDAC8 (0.39) LMNAGAATSHRKMT2AHPGD
SCHEMBL2224739 0.75 HDAC8 (0.39) LMNAGAATSHRKMT2AHPGD
SCHEMBL3096751 0.73 LMNA (0.59) LMNAGAATSHRKMT2AHPGD
SCHEMBL2223405 0.73 LMNA (0.48) LMNAGAATSHRKMT2AHPGD
SCHEMBL2221076 0.71 LMNA (0.49) LMNAGAATSHRKMT2AHPGD
SCHEMBL2224057 0.68 HDAC4 (0.46) LMNAGAATSHRKMT2AHPGD
SCHEMBL2266329 0.67 GAA (0.40) LMNAGAATSHRKMT2AHPGD
SCHEMBL2224093 0.67 HDAC8 (0.37) LMNAGAATSHRKMT2AHPGD
SCHEMBL2224843 0.67 LMNA (0.59) LMNAGAATSHRKMT2AHPGD

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-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed