SCHEMBL2443906

SCHEMBL2443906

[O]CC#CCN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CHRM2 P08172 7/20 0.34
CHRM4 P08173 7/20 0.34
CHRM5 P08912 7/20 0.34
CHRM1 P11229 7/20 0.34
CHRM3 P20309 7/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL14979150 0.81 LMNA (0.41) LMNAKMT2AMEN1CHRM2CHRM4
SCHEMBL2386769 0.81 LMNA (0.41) LMNAKMT2AMEN1CHRM2CHRM4
SCHEMBL23499590 0.78 KMT2A (0.39) LMNAKMT2AMEN1CHRM2CHRM4
SCHEMBL13619671 0.78 KMT2A (0.39) LMNAKMT2AMEN1CHRM2CHRM4
SCHEMBL4476489 0.77 LMNA (0.74) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1599849 0.75 KMT2A (0.38) LMNAKMT2AMEN1CYP1A2CYP2C19
SCHEMBL12794007 0.74 CHRM1 (0.40) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL2611011 0.74 GAA (0.36) LMNAKMT2AMEN1CHRM2CHRM4
SCHEMBL896956 0.73 KMT2A (0.37) LMNAKMT2AMEN1CYP1A2CYP2C19
SCHEMBL2361199 0.73 KMT2A (0.37) LMNAKMT2AMEN1CYP1A2CYP2C19

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-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed