SCHEMBL9134697

SCHEMBL9134697

CCOC(=O)C(=CNC1CC1)C(=O)c1c(F)c(Cl)c(F)c(F)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 3/20 0.33
DHODH Q02127 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GLO1 Q04760 1/20 0.31
CYP3A4 P08684 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL9134690 1.00 NPSR1 (0.34) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL5704364 0.94 ALDH1A1 (0.35) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL5704365 0.94 ALDH1A1 (0.35) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL8111844 0.93 NPSR1 (0.33) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL8111842 0.93 NPSR1 (0.33) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL1345391 0.86 CYP2D6 (0.38) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL1345392 0.86 CYP2D6 (0.38) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL9562436 0.86 CYP2D6 (0.38) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL6215085 0.85 GAA (0.38) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL8741102 0.85 GAA (0.38) NPSR1MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464796-A Bactericides and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 US disclosed
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 EP disclosed