SCHEMBL20564402

SCHEMBL20564402

CC(C)C[C@H](NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1cccc2ccccc12)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.61
PGGT1B P53609 14/20 0.61
FNTB P49356 13/20 0.61
TDP1 Q9NUW8 3/20 0.54
BCL2L1 Q07817 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL10018886 0.91 FNTA (0.66) FNTAPGGT1BFNTBTDP1MEN1
Trifluoroacetic Acid SCHEMBL1396830 0.90 FNTA (0.71) FNTAPGGT1BFNTBTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL21933140 0.90 FNTA (0.71) FNTAPGGT1BFNTBTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL20564403 0.90 FNTA (0.71) FNTAPGGT1BFNTBTDP1BCL2L1
Trifluoroacetic Acid SCHEMBL31561401 0.90 FNTA (0.71) FNTAPGGT1BFNTBTDP1BCL2L1
SCHEMBL4280385 0.88 FNTA (0.78) FNTAPGGT1BFNTBTDP1BCL2L1
SCHEMBL25211622 0.81 FNTA (0.81) FNTAPGGT1BFNTBTDP1BCL2L1
SCHEMBL6775312 0.81 FNTA (0.59) FNTAPGGT1BFNTBTDP1BCL2L1
SCHEMBL6775315 0.81 FNTA (0.59) FNTAPGGT1BFNTBTDP1BCL2L1
SCHEMBL6782824 0.80 FNTA (0.62) FNTAPGGT1BFNTBTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200147047-A1 Methods of Treating Resistant Cancers UNIVERSITY OF BALTIMORE, MARYLAND (US) 2020-05-14 US claimed
WO-2018213748-A1 METHODS OF TREATING RESISTANT CANCERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-11-22 WO claimed
WO-2018213748-A1 METHODS OF TREATING RESISTANT CANCERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-11-22 WO disclosed