SCHEMBL16384176

SCHEMBL16384176

NCCN(CCN)C(=O)C[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(CF)cc(B(O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
CTNNB1 P35222 2/20 0.34
FPR2 P25090 1/20 0.33
PSMB5 P28074 4/20 0.33
STAT3 P40763 1/20 0.32
PSMB1 P20618 1/20 0.32
PTPN1 P18031 3/20 0.31
CSK P41240 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
PTPN2 P17706 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PTPRA P18433 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL12475178 0.93 PSMB5 (0.35) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL12475186 0.93 PSMB5 (0.35) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL12475249 0.93 PSMB5 (0.35) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL16384606 0.92 CTNNB1 (0.36) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL16384596 0.86 CTNNB1 (0.32) CTNNB1
SCHEMBL12475180 0.85 CTNNB1 (0.37) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL12475174 0.85 CTNNB1 (0.37) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL12475272 0.81 CTNNB1 (0.39) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL12475265 0.81 CTNNB1 (0.39) IDO1CTNNB1FPR2PSMB5STAT3
SCHEMBL13365253 0.79 MME (0.43) FPR2PSMB5

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
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed