SCHEMBL1829099

SCHEMBL1829099

CO/C=C/C1(C)CN(C(=O)O)c2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.36
BIRC2 Q13490 4/20 0.36
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GFER P55789 1/20 0.33
HSD17B3 P37058 2/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31

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
SCHEMBL1829105 1.00 XIAP (0.36) XIAPBIRC2LMNAPMP22NPSR1
SCHEMBL1829103 1.00 XIAP (0.36) XIAPBIRC2LMNAPMP22NPSR1
SCHEMBL12713649 0.86 RORC (0.36) XIAPBIRC2
SCHEMBL1612501 0.86 RORC (0.36) XIAPBIRC2
SCHEMBL1612502 0.86 RORC (0.36) XIAPBIRC2
SCHEMBL1612498 0.86 RORC (0.36) XIAPBIRC2
SCHEMBL15401238 0.77 NOTUM (0.47) XIAPBIRC2LMNAPMP22NPSR1
SCHEMBL13732568 0.74 XIAP (0.57) XIAPBIRC2LMNAPMP22NPSR1
SCHEMBL1830230 0.72 XIAP (0.43) XIAPBIRC2LMNAPMP22NPSR1
SCHEMBL1612202 0.71 RORC (0.38) XIAPBIRC2

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-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed