Sugi Predict

Sugi Predict / Compounds / SCHEMBL7606170

SCHEMBL7606170

SCHEMBL7606170

C=C(O)C1(Cc2cccc(NC(=O)[C@H](c3ccc(CN4Cc5ccccc5C4=O)cc3)[C@@H](C)C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ THRB P10828 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL7602101 1.00 MAPT (0.40) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL13660768 0.95 THRB (0.40) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL3704735 0.95 THRB (0.40) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL3702660 0.95 THRB (0.40) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL7604016 0.90 PARP1 (0.35) MAPTTHRBMEN1KMT2ALMNA
SCHEMBL7601121 0.90 PARP1 (0.35) MAPTTHRBMEN1KMT2ALMNA
SCHEMBL12872081 0.89 THRB (0.39) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL12872084 0.89 THRB (0.39) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL12872085 0.89 THRB (0.39) MAPTTHRBMEN1KMT2AHDAC1
SCHEMBL3696153 0.86 MEN1 (0.42) MAPTTHRBMEN1KMT2AHDAC1

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
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 — — EP disclosed