SCHEMBL6545814

SCHEMBL6545814

O=C(O)Oc1cc2cc(O)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.54
MAOA P21397 4/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
BRCA1 P38398 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CLK1 P49759 2/20 0.49
DYRK1A Q13627 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
MAOB P27338 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL28007471 0.85 KDM4E (0.58) FLT3MAOAKDM4EALDH1A1LMNA
SCHEMBL5230393 0.81 CA12 (0.42) FLT3KDM4EALDH1A1LMNAHPGD
SCHEMBL5163230 0.81 PIM1 (0.58) MAOAKDM4EALDH1A1LMNAHPGD
SCHEMBL3259550 0.81 KDM4E (0.54) KDM4EALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL6240383 0.79 KDM4E (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4200612 0.79 FLT3 (0.52) FLT3MAOAKDM4EALDH1A1HPGD
SCHEMBL6545797 0.79 MAOB (0.58) FLT3MAOAKDM4EALDH1A1LMNA
SCHEMBL5508121 0.78 CYP2A6 (0.42) MAOAKDM4EALDH1A1HPGDCA12
SCHEMBL5233703 0.76 MAOB (0.58) MAOAKDM4EALDH1A1LMNAGAA
SCHEMBL6242111 0.76 KDM4E (0.41) FLT3KDM4EALDH1A1GLAHPGD

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-1373239-A1 BENZOFURAN DERIVATIVES Bayer HealthCare AG (DE) 2004-01-02 EP disclosed
WO-2002079181-A1 BENZOFURAN DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed