SCHEMBL455837

SCHEMBL455837

CC[C]1CC(c2ccccc2)=CC=C1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL455217 0.77 SHMT2 (0.32) SHMT2HPGDSMN1; SMN2L3MBTL1TP53
SCHEMBL457003 0.72 ALDH1A1 (0.33) ALDH1A1MAPK1
SCHEMBL456626 0.71 SIGMAR1 (0.35) ALDH1A1MAPK1
SCHEMBL3982745 0.71 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPK1
SCHEMBL458110 0.68 TP53 (0.31) TP53
SCHEMBL456779 0.68 TP53 (0.31) TP53
SCHEMBL455470 0.67 HPGD (0.32) HPGDSMN1; SMN2L3MBTL1TP53ALDH1A1
SCHEMBL18808378 0.66 TP53 (0.36) SHMT2HPGDSMN1; SMN2L3MBTL1TP53
SCHEMBL458898 0.66 SHMT2 (0.31) SHMT2HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL456712 0.66 HPGD (0.31) HPGDSMN1; SMN2L3MBTL1ALDH1A1

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-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed