SCHEMBL8628239

SCHEMBL8628239

CCOC(=O)/C=C(\C(=O)OCC)N(CCF)c1ccc(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 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
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
GALK1 P51570 1/20 0.30
CCR6 P51684 1/20 0.30
BLM P54132 1/20 0.30
MCL1 Q07820 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8625377 1.00 NPSR1 (0.37) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8622855 0.90 NPSR1 (0.39) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8624142 0.90 NPSR1 (0.39) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8622686 0.79 NPSR1 (0.35) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8626616 0.79 NPSR1 (0.35) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8625380 0.77 MAPT (0.30) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8625478 0.76 KMT2A (0.41) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8621807 0.73 NPSR1 (0.39) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL8624667 0.73 NPSR1 (0.39) NPSR1MAPTKMT2AMEN1LMNA
SCHEMBL31453734 0.72 EPHX2 (0.40) MAPTKMT2AMEN1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684942-B1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORP (US) 1998-06-10 EP disclosed
EP-0684942-A4 1995-12-27 EP disclosed
EP-0684942-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1995-12-06 EP disclosed
US-5430152-A Heating aminoarylester in presence of chlorosulfonic acid, oleum HOECHST CELANESE CORPORATION (US) 1995-07-04 US disclosed
WO-1994019312-A1 METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF HOECHST CELANESE CORPORATION (US) 1994-09-01 WO disclosed