SCHEMBL18106959

SCHEMBL18106959

CC(OC(=O)C(F)(C(=O)O)c1ccc(Cl)nn1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 1/20 0.31
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL1549949 0.77 KMT2A (0.38) LMNAKMT2A
SCHEMBL29099264 0.71 LMNA (0.40) LMNAKMT2A
SCHEMBL5954700 0.69 LMNA (0.42) LMNAKMT2AJUNNFKB1NFKB2
SCHEMBL1550807 0.68 LMNA (0.41) LMNAKMT2AJUNNFKB1NFKB2
SCHEMBL30628250 0.67 KMT2A (0.46) LMNAKMT2A
SCHEMBL31292247 0.65 LMNA (0.43) LMNAKMT2AJUNNFKB1NFKB2
SCHEMBL249487 0.62 CNR2 (0.46) LMNAKMT2A
SCHEMBL1000276 0.61 ALDH1A1 (0.40) LMNAKMT2A
SCHEMBL29559838 0.61 JUN (0.39) LMNAJUNNFKB1NFKB2RELA
SCHEMBL155818 0.61 JUN (0.39) LMNAJUNNFKB1NFKB2RELA

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-2313407-B1 cMET INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2016-10-05 EP disclosed