SCHEMBL7472928

SCHEMBL7472928

Cc1[c]ccc(SC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.33
PTPRZ1 P23471 2/20 0.33
KCNH2 Q12809 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL697001 0.83 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL11704455 0.82 AR (0.35) KDM4E
SCHEMBL900844 0.78 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1TDP1MAPT
SCHEMBL900816 0.78 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1TDP1MAPT
SCHEMBL900457 0.76 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1TDP1MAPT
SCHEMBL16467655 0.76 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1TDP1MAPT
SCHEMBL15353613 0.76 KDM4E (0.34) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1
SCHEMBL7468239 0.76 KDM4E (0.34) SMN1; SMN2KDM4EALDH1A1TDP1MAPT
SCHEMBL723118 0.74
SCHEMBL17435145 0.74 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1TDP1PTPRZ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-2576529-B1 Heterocyclic alkanol derivatives as fungicides BAYER IP GMBH (DE) 2017-05-24 EP disclosed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed