SCHEMBL6201073

SCHEMBL6201073

O=C(CC(c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
LMNA P02545 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PDPK1 O15530 1/20 0.48
POLB P06746 2/20 0.48
SUCNR1 Q9BXA5 2/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TBXAS1 P24557 2/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PDE4D Q08499 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP3A5 P20815 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL10919976 0.81 CYP19A1 (0.50) CYP19A1LMNAALDH1A1SUCNR1TBXAS1
SCHEMBL2680346 0.80 KMT2A (0.48) CYP19A1LMNAKMT2AMEN1USP2
SCHEMBL6678494 0.80 KMT2A (0.48) CYP19A1LMNAKMT2AMEN1USP2
SCHEMBL6678491 0.79 MEN1 (0.47) CYP19A1LMNAKMT2AMEN1USP2
SCHEMBL6201493 0.78 LMNA (0.46) CYP19A1LMNAKMT2AMEN1USP2
SCHEMBL6204707 0.77 MGAM (0.49) LMNAKMT2AMEN1USP2ALDH1A1
SCHEMBL11737642 0.76 CYP19A1 (0.62) CYP19A1LMNAALDH1A1TBXAS1PDE4D
SCHEMBL11990053 0.76 TBXAS1 (0.63) LMNATBXAS1PDE4DHPGDHTT
SCHEMBL28036009 0.75 L3MBTL1 (0.63) LMNAKMT2AMEN1ALDH1A1PDPK1
Ammonia Solution, Strong SCHEMBL6000489 0.75 CYP19A1 (0.60) CYP19A1LMNAALDH1A1TBXAS1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO claimed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed