SCHEMBL13606405

SCHEMBL13606405

COC(=O)c1cnn2c(O)c(-c3c(F)cccc3Cl)c(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CASP1 P29466 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 5/20 0.41
LMNA P02545 2/20 0.40
HTR2C P28335 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP7 P55210 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 2/20 0.39

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
SCHEMBL4512702 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4507101 0.90 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3713237 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4494543 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3706568 0.75 AKT1 (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4509127 0.73 TP53 (0.43) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL13232454 0.73 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4502203 0.73 TP53 (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3716845 0.72 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3536164 0.71 DPP4 (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed