SCHEMBL13522945

SCHEMBL13522945

Oc1ccccc1-c1ccnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
KDM4A O75164 2/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
MDM2 Q00987 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NT5E P21589 1/20 0.42
NR3C2 P08235 1/20 0.42
PDE5A O76074 1/20 0.42
IDO1 P14902 1/20 0.41
MMP2 P08253 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1630409 0.85 HSP90AA1 (0.51) HSP90AA1POLBALDH1A1MAPTKMT2A
SCHEMBL1628566 0.82 HSP90AA1 (0.49) HSP90AA1KDM4APOLBMAPTKMT2A
SCHEMBL13522938 0.81 HSP90AA1 (0.51) HSP90AA1POLBLMNAALDH1A1HPGD
SCHEMBL13522940 0.81 HSP90AA1 (0.51) HSP90AA1KDM4APOLBLMNATSHR
SCHEMBL13522939 0.81 HSP90AA1 (0.51) HSP90AA1POLBLMNATSHRHPGD
SCHEMBL12722866 0.80 HSP90AA1 (0.53) HSP90AA1POLBLMNAALDH1A1KMT2A
SCHEMBL1630238 0.79 MAPT (0.51) HSP90AA1TSHRALDH1A1MAPTKMT2A
SCHEMBL28840679 0.79 POLB (0.47) HSP90AA1POLBLMNATSHRALDH1A1
SCHEMBL6448933 0.78 BCHE (0.46) HSP90AA1KDM4AALDH1A1HPGDMAPT
SCHEMBL625870 0.77 HSP90AA1 (0.68) HSP90AA1NR3C2IDO1KDM4E

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed