SCHEMBL3229953

SCHEMBL3229953

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAOA P21397 4/20 0.36
CTSV O60911 3/20 0.35
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
DAO P14920 1/20 0.35
MCL1 Q07820 1/20 0.35
MAOB P27338 3/20 0.35
EGFR P00533 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL689438 0.83 HPGD (0.35) MAPTMCL1KDM4EMEN1ALDH1A1
SCHEMBL688804 0.81 CMA1 (0.38) MCL1KDM4EMEN1ALDH1A1HPGD
SCHEMBL689572 0.81 PTGDR2 (0.38) MCL1MEN1ALDH1A1KMT2ACA1
SCHEMBL3229944 0.76 MCL1 (0.57) MAOAGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4198025 0.76 MCL1 (0.57) MAPTDAOMCL1KDM4EMEN1
SCHEMBL692868 0.73 LMNA (0.42) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7879482 0.72 L3MBTL1 (0.50) MAPTCTSVMCL1KDM4EALDH1A1
SCHEMBL3269248 0.71 JAK2 (0.41) MAOAMAOB
SCHEMBL16644709 0.71 KDM4E (0.42) MAPTMAOACTSVDAOMCL1
SCHEMBL11467251 0.69 DAO (0.45) MAPTMAOACTSVDAOMAOB

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-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