SCHEMBL12366164

SCHEMBL12366164

[C-]#[N+]CC(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
TRPV1 Q8NER1 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.50
P2RX7 Q99572 2/20 0.49
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46
APEX1 P27695 1/20 0.46
EPHX2 P34913 1/20 0.46
PYGL P06737 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL11305715 0.83 TSHR (0.69) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL12366142 0.82 KMT2A (0.59) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL31248395 0.80 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL4035255 0.80 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL13683247 0.80 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL5653386 0.79 TSHR (0.63) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL7937579 0.79 TSHR (0.63) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL30259914 0.79 TSHR (0.68) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL6361222 0.79 TSHR (0.68) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL3143102 0.79 TSHR (0.63) TSHRTRPV1SMN1; SMN2LMNATP53

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