SCHEMBL22230720

SCHEMBL22230720

CCOC(=O)C(=[N+]=[N-])C(=C=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
NHERF1 O14745 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
GAA P10253 2/20 0.36
CES2 O00748 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22230717 0.83 MAPT (0.48) MAPTKMT2AMEN1S1PR4LMNA
SCHEMBL17338792 0.77 KMT2A (0.50) MAPTKMT2AMEN1S1PR4LMNA
SCHEMBL22609299 0.75 MEN1 (0.46) MAPTKMT2AMEN1S1PR4LMNA
SCHEMBL11782819 0.71 GAA (0.46) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL696315 0.71 KMT2A (0.57) MAPTKMT2AMEN1S1PR4LMNA
SCHEMBL28353412 0.71 CES2 (0.47) MAPTKMT2ALMNANPSR1ALDH1A1
SCHEMBL2204826 0.70 ALDH1A1 (0.43) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL19398550 0.68 LMNA (0.42) MAPTKMT2AMEN1S1PR4LMNA
SCHEMBL22993871 0.68 KMT2A (0.54) MAPTKMT2AMEN1S1PR4LMNA
SCHEMBL1966571 0.68 MAPT (0.54) MAPTKMT2AMEN1S1PR4LMNA

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
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed