SCHEMBL7517962

SCHEMBL7517962

CCOC(=O)c1ccc(-c2cc3cc(OC)ccc3[nH]2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
KCNQ2 O43526 1/20 0.64
MAPT P10636 4/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52

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
SCHEMBL15223752 0.83 KDM4E (0.65) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL1260807 0.81 TUBB4A (0.72) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL22552071 0.80 TUBB4A (0.77) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL29902976 0.80 TUBB4A (0.77) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL5788655 0.80 TUBB4A (0.51) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL12392692 0.80 KDM4E (0.60) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL4264688 0.80 KDM4E (0.81) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL75327 0.79 KDM4E (1.00) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL15058692 0.79 KDM4E (0.74) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL7848024 0.79 HRH3 (0.55) KDM4ENPC1RAB9AALDH1A1HPGD

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-1165512-A2 METHOD FOR ARYLATING AZA-HETEROCYCLES WITH ACTIVATED AROMATIC COMPOUNDS IN THE PRESENCE OF CESIUM CARBONATE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000059883-A2 METHOD FOR PRODUCING N-ARYL-AZA-HETEROCYCLES IN THE PRESENCE OF CESIUM CARBONATE Gödecke GmbH (DE) 2000-10-12 WO disclosed