SCHEMBL6757752

SCHEMBL6757752

COC(=O)c1cccc(CNc2[c]cccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.57
LOXL2 Q9Y4K0 1/20 0.54
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
SENP1 Q9P0U3 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
SLC7A5 Q01650 1/20 0.47
PPM1D O15297 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL12473735 0.84 HDAC8 (0.48) HIF1AMRGPRX4HDAC8HDAC6
SCHEMBL14420824 0.80 LOXL2 (0.58) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL15761753 0.79 HIF1A (0.85) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL8716267 0.78 LOXL2 (0.56) HIF1ALOXL2CYP4F2CYP4A11SLC7A5
SCHEMBL15761746 0.78 HIF1A (0.60) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL15755934 0.77 HIF1A (0.58) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL15761754 0.77 HIF1A (0.58) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL21579366 0.77 LOXL2 (0.70) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL308038 0.76 LOXL2 (0.64) HIF1ALOXL2CYP4F2CYP4A11SENP1
SCHEMBL45633 0.75 LOXL2 (0.68) HIF1ALOXL2CYP4F2CYP4A11SENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004505014-A 2004-02-19 JP claimed
EP-1268463-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-01-02 EP claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO claimed