SCHEMBL3211542

SCHEMBL3211542

Cc1cccc(NC(=O)CC2C(=O)OCCN2Cc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.74
THRB P10828 2/20 0.74
POLB P06746 1/20 0.56
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.52
HSP90AA1 P07900 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3215772 0.89 MAPT (0.80) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3228715 0.87 MAPT (0.80) MAPTTHRBPOLBKMT2AALDH1A1
SCHEMBL3226493 0.82 MAPT (0.69) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3215666 0.79 MAPT (0.74) MAPTTHRBPOLBKMT2AALDH1A1
SCHEMBL3262164 0.78 MAPT (0.67) MAPTTHRBPOLBKMT2AALDH1A1
SCHEMBL3220058 0.78 MAPT (0.60) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3226019 0.76 MAPT (1.00) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3264281 0.75 MAPT (0.83) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3221557 0.75 MAPT (0.79) MAPTTHRBPOLBKMT2AMEN1
SCHEMBL3216606 0.71 MAPT (0.74) MAPTTHRBPOLBKMT2AALDH1A1

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
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO claimed
WO-2010003197-A1 MORPHOLINE DERIVATIVES USED AS ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 WO disclosed