SCHEMBL8740997

SCHEMBL8740997

O=C(O)CC(=O)c1c(F)cc(Cl)c(F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
FEN1 P39748 2/20 0.35
FABP4 P15090 1/20 0.33
SPR P35270 1/20 0.33
POLB P06746 3/20 0.33
APEX1 P27695 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.31
ERCC5 P28715 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PPARG P37231 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
SCHEMBL8740973 0.80 GPR17 (0.36) GPR17KMT2AMEN1FABP4HPGD
SCHEMBL27475223 0.79 KDM4E (0.40) KMT2AMEN1POLBHPGDTSHR
SCHEMBL8437425 0.77 GPR17 (0.40) GPR17KMT2AMEN1FEN1FABP4
SCHEMBL6218390 0.76 ALDH1A1 (0.40) GPR17KMT2AMEN1SPRPOLB
SCHEMBL9136253 0.76 CES2 (0.34) FEN1POLB
SCHEMBL8013023 0.74 CA1 (0.38) KMT2AMEN1POLBKDM4E
SCHEMBL9226589 0.73 POLB (0.50) KMT2AFEN1POLBAPEX1HPGD
SCHEMBL8740970 0.72 MEN1 (0.35) GPR17KMT2AMEN1SPRPPARG
SCHEMBL30417758 0.71 ERCC5 (0.38) GPR17KMT2AMEN1FEN1FABP4
SCHEMBL8435129 0.71 ERCC5 (0.38) GPR17KMT2AMEN1FEN1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607942-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed