SCHEMBL28798992

SCHEMBL28798992

COC(=O)CCN(C)c1ccccc1CNC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)CC=Cc1ccc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
POLB P06746 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
SCHEMBL4841917 0.86 LMNA (0.39) LMNATDP1POLB
SCHEMBL27893570 0.85 LMNA (0.37) LMNATDP1DRD2DRD3POLB
SCHEMBL4039302 0.79 LMNA (0.41) LMNATDP1POLB
SCHEMBL28801372 0.76 LMNA (0.42) LMNAPOLB
SCHEMBL4842879 0.70 LMNA (0.40) LMNATDP1POLB
SCHEMBL4562101 0.65 KMT2A (0.42) LMNATDP1POLB
SCHEMBL4035782 0.65 PKM (0.39) LMNAPOLB
SCHEMBL4842372 0.63 LMNA (0.48) LMNAPOLB
SCHEMBL4030551 0.63 LMNA (0.40) LMNATDP1POLB
SCHEMBL18041160 0.61 TGM2 (0.47) LMNA

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
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed