SCHEMBL688804

SCHEMBL688804

Cn1c(OC(=O)O)cc2cccc(CO)c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.38
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
S1PR1 P21453 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MCL1 Q07820 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FDPS P14324 1/20 0.32
HPGD P15428 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ATM Q13315 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
SCHEMBL3229953 0.81 MAPT (0.40) ALDH1A1KDM4EMCL1MEN1KMT2A
SCHEMBL692868 0.80 LMNA (0.42) CMA1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL689438 0.79 HPGD (0.35) CMA1ALDH1A1KDM4EMCL1MEN1
SCHEMBL3269248 0.78 JAK2 (0.41)
SCHEMBL688803 0.78 MCL1 (0.53) CMA1ALDH1A1KDM4EMCL1FDPS
SCHEMBL689572 0.77 PTGDR2 (0.38) TDP1ALDH1A1L3MBTL1MCL1MEN1
SCHEMBL3220898 0.74 MTNR1B (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2311368 0.73 CMA1 (0.49) CMA1TDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL3267550 0.73 MTNR1B (0.43) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4198025 0.72 MCL1 (0.57) ALDH1A1KDM4EMCL1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed