SCHEMBL28801372

SCHEMBL28801372

O=C(O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)CC=Cc2ccc(I)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
FKBP1A P62942 2/20 0.39
POLB P06746 1/20 0.38
PTGER4 P35408 2/20 0.37
XIAP P98170 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
F10 P00742 1/20 0.34
F2 P00734 1/20 0.33

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
SCHEMBL4844911 0.83 MEN1 (0.46) LMNAFKBP1APOLBPTGER4XIAP
SCHEMBL28801373 0.79 LMNA (0.41) LMNAFKBP1APOLBPTGER4XIAP
SCHEMBL4842372 0.74 LMNA (0.48) LMNAFKBP1APOLBALDH1A1MEN1
SCHEMBL926246 0.72 EPHX2 (0.48) LMNAFKBP1APOLBXIAPALDH1A1
SCHEMBL4844332 0.69 MEN1 (0.40) LMNAFKBP1AMEN1CYP3A4CYP2D6
SCHEMBL4832807 0.69 MAPT (0.44) LMNAFKBP1AMEN1CYP3A4CYP2D6
SCHEMBL4838603 0.68 RAB9A (0.44) LMNAFKBP1APOLBMEN1CYP3A4
SCHEMBL4842829 0.68 SCN9A (0.48) LMNAFKBP1APOLBMEN1CYP3A4
SCHEMBL4844942 0.67 RORC (0.43) PTGER4MEN1CYP3A4CYP2D6MAPT
SCHEMBL27516582 0.67 LMNA (0.40) LMNAALDH1A1MEN1KMT2A

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