SCHEMBL7469887

SCHEMBL7469887

Fc1nccc(Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.45
LOX P28300 1/20 0.44
MAP4K4 O95819 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PLK4 O00444 1/20 0.41
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4272019 0.78 ALDH1A1 (0.47) HTTALDH1A1LOXL2LOXMAP4K4
SCHEMBL190518 0.78 PLAAT3 (0.48) HTTALDH1A1LOXL2LOXMAP4K4
SCHEMBL7041110 0.77 ALDH1A1 (0.46) HTTALDH1A1LOXL2LOXMAP4K4
SCHEMBL7041105 0.77 HTT (0.50) HTTALDH1A1LOXL2LOXMAP4K4
SCHEMBL12813082 0.77 POLB (0.54) HTTALDH1A1LOXL2LOXMAP4K4
SCHEMBL5119716 0.76 MAPK1 (0.59) HTTALDH1A1LOXL2LOXKMT2A
SCHEMBL30048005 0.74 POLB (0.51) HTTALDH1A1LOXL2LOXMAP4K4
SCHEMBL2521152 0.74 LTA4H (0.58) HTTALDH1A1MAP4K4KMT2AMEN1
SCHEMBL23337307 0.73 FFAR1 (0.45) HTTALDH1A1LOXL2LOXKMT2A
SCHEMBL6979147 0.73 ALDH1A1 (0.42) HTTALDH1A1LOXL2LOXMAP4K4

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 disclosed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN 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
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
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed