SCHEMBL8570972

SCHEMBL8570972

CN(C)C(=O)c1c(F)ccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
TDP1 Q9NUW8 2/20 0.39
ERN1 O75460 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.35
AR P10275 1/20 0.35
BCHE P06276 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL7456525 0.84 MAP4K1 (0.43) POLBCES2CES1HTTKMT2A
SCHEMBL31233534 0.84 POLB (0.36) POLBCES2CES1TDP1ERN1
SCHEMBL7456518 0.81 CES2 (0.41) POLBCES2CES1ERN1SMN1; SMN2
SCHEMBL12837479 0.81 POLB (0.41) POLBCES2CES1TDP1ERN1
SCHEMBL27248180 0.80 MLYCD (0.41) POLBCES2CES1TDP1CA1
SCHEMBL8569018 0.80 TDP1 (0.58) POLBCES2CES1TDP1ERN1
SCHEMBL8571933 0.80 CA1 (0.52) POLBCES2CES1ERN1ALDH1A1
SCHEMBL30514277 0.79 KMT2A (0.53) POLBTDP1ERN1ALDH1A1HPGD
SCHEMBL7462253 0.77 CES2 (0.41) POLBCES2CES1ERN1ALDH1A1
SCHEMBL8574187 0.75 MEN1 (0.51) POLBERN1ALDH1A1HPGDSMN1; SMN2

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed