SCHEMBL12366188

SCHEMBL12366188

[C-]#[N+]CC(=O)NCc1ccc(CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
HTT P42858 1/20 0.46
TPSAB1 Q15661 2/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
MLLT1 Q03111 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL12366100 0.86 ALDH1A1 (0.56) LMNAKMT2AHPGDALDH1A1TDP1
SCHEMBL12366135 0.83 LMNA (0.62) LMNAKMT2ACA12CA1CA2
SCHEMBL12366142 0.83 KMT2A (0.59) KMT2ACA12CA1CA2HTT
SCHEMBL12366096 0.83 L3MBTL1 (0.57) KMT2ACA12CA1CA2CA7
SCHEMBL11591975 0.82 GAA (0.59) LMNAKMT2AHTTHPGDALDH1A1
SCHEMBL12366192 0.82 EPHX2 (0.54) LMNAKMT2AALDH1A1
SCHEMBL12366190 0.82 ALDH1A1 (0.57) LMNAKMT2ACA12CA1CA2
SCHEMBL12366121 0.80 LMNA (0.64) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL826020 0.80 KMT2A (0.53) LMNAKMT2ACA12CA1CA2
SCHEMBL12261238 0.79 BDKRB1 (0.40) LMNAHPGD

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
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed