SCHEMBL4432205

SCHEMBL4432205

COc1ccccc1-c1cc(Br)[c]cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
PGR P06401 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
S1PR1 P21453 3/20 0.40
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
MITF O75030 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL3409120 0.84 AR (0.46) ARPGRAKR1C3AKR1C2KDM4E
SCHEMBL5085400 0.78 HTR7 (0.47) APP
SCHEMBL1097889 0.75 HTR2A (0.40) ARPGRKDM4EALDH1A1S1PR1
SCHEMBL4432201 0.74 CETP (0.41) ARPGRAKR1C3AKR1C2KDM4E
SCHEMBL1275066 0.72 S1PR1 (0.47) ARPGRAKR1C3AKR1C2S1PR1
SCHEMBL3409117 0.70 HTT (0.42) ARPGRAKR1C3AKR1C2KDM4E
SCHEMBL15063737 0.69 PTPRC (0.45) ARPGRKDM4EALDH1A1TSHR
SCHEMBL9004918 0.69 PGR (0.45) ARPGRAKR1C3AKR1C2KDM4E
SCHEMBL26262314 0.69 TRPA1 (0.51) ARPGRAKR1C3AKR1C2ALDH1A1
SCHEMBL27905808 0.69 CYP1A1 (0.43) ARPGRKDM4EALDH1A1GAA

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-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed