SCHEMBL6408581

SCHEMBL6408581

O=C(Cc1cccc2ccccc12)N1Cc2ccccc2N(Cc2c[nH]cn2)C(OC(=O)C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33
FNTA P49354 7/20 0.33
FNTB P49356 7/20 0.33
RORC P51449 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL6408587 0.79 FNTA (0.46) KMT2AMEN1FNTAFNTB
SCHEMBL3499472 0.77 FNTA (0.49) KMT2AMEN1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL3498016 0.71 FNTA (0.49) FNTAFNTB
SCHEMBL2364392 0.65 FNTA (0.68) FNTAFNTB
Trifluoroacetic Acid SCHEMBL5583305 0.65 FNTA (0.42) BCHEFNTAFNTB
SCHEMBL3499648 0.64 FNTA (0.70) KMT2AMEN1KDM4EFNTAFNTB
SCHEMBL3503159 0.62 FNTA (0.70) FNTAFNTB
SCHEMBL3501090 0.62 FNTA (0.37) FNTAFNTB
SCHEMBL3501096 0.62 FNTA (0.37) FNTAFNTB
SCHEMBL3499471 0.62 FNTA (0.44) BCHEFNTAFNTB

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
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed