SCHEMBL10511729

SCHEMBL10511729

NC(=O)Nc1cccc(Cc2ccc[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.42
▸ PDPK1 O15530 3/20 0.40
▸ AKT2 P31751 2/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ AKT1 P31749 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL28814222 0.79 IDH1 (0.46) PARP1MEN1KMT2A
SCHEMBL4505211 0.78 GAA (0.55) MAPTKMT2AGAAGFERPPIA
SCHEMBL10515778 0.77 MAPT (0.47) MAPTMEN1KMT2AGAAHDAC3
SCHEMBL5211495 0.76 PDK1 (0.55) PDK1MAPTGAAGFERPPIA
SCHEMBL10647146 0.76 MAPT (0.47) MAPTMEN1KMT2AGAAGFER
SCHEMBL2557430 0.76 CFD (0.55) MAPTGAAGFERNOS3NOS1
SCHEMBL2569068 0.75 NOS1 (0.51) PARP1MAPTGAAGFERNOS3
SCHEMBL5031452 0.74 SIGMAR1 (0.60) MAPTMEN1KMT2AGAAHDAC3
SCHEMBL13564689 0.74 MAPT (0.46) PDK1MAPTMEN1KMT2AGAA
SCHEMBL5212905 0.74 MAPT (0.46) PARP1MAPTGAAGFERPPIA

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
EP-0329169-A1 N-(lower alkyl)-2-(3'-ureidobenzyl)-pyrrolidines SYNTEX (U.S.A.) INC. (US) 1989-08-23 — — EP disclosed
US-4826869-A GLAUCOMA SYNTEX (U.S.A.) INC. (US) 1989-05-02 — — US disclosed
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