SCHEMBL2188177

SCHEMBL2188177

Fc1c(F)c(F)c(Oc2[c]cccc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL152163 0.81 LTA4H (0.32)
SCHEMBL1532111 0.81 SLC6A2 (0.35)
SCHEMBL1532093 0.78 KDM1A (0.31)
SCHEMBL1532042 0.75 ALDH1A1 (0.39) MAPTKDM4E
SCHEMBL6233331 0.75 SLC6A2 (0.39) MAPTKDM4ECRHBPCRHR2
SCHEMBL1532070 0.75 KDM4E (0.35) MAPTKDM4ECRHBPCRHR2
SCHEMBL1221858 0.75 KDM4E (0.39) MAPTKDM4ECRHBPCRHR2
SCHEMBL10965997 0.75 KDM4E (0.35) MAPTKDM4ECRHBPCRHR2CA12
SCHEMBL76698 0.73 LTA4H (0.50) MAPTKDM4ECA1CA2
SCHEMBL1345258 0.72 RARG (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 EP claimed