SCHEMBL4658459

SCHEMBL4658459

Cc1nc(C(F)F)c(C(=O)Nc2ccccc2C2C=CI=CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.36
MEN1 O00255 4/20 0.36
RAB9A P51151 6/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 5/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
CHRNA7 P36544 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3794705 0.89 MEN1 (0.30) KMT2AMEN1
SCHEMBL13980917 0.80 CNR1 (0.43) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL13478938 0.79 CNR1 (0.43) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL3146828 0.79 CNR1 (0.43) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL12903702 0.79 HTT (0.51) KMT2ARAB9ARECQLNPC1GAA
SCHEMBL3143993 0.77 KMT2A (0.36) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL2911307 0.76 RAB9A (0.46) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL13478948 0.75 CNR1 (0.40) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL13064249 0.73 TSHR (0.50) KMT2AMEN1RAB9ARECQLNPC1
SCHEMBL4352718 0.73 RAB9A (0.40) KMT2AMEN1RAB9ARECQLNPC1

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
EP-1916894-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE Bayer CropScience Aktiengesellschaft (DE) 2008-05-07 EP disclosed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO disclosed