SCHEMBL23018482

SCHEMBL23018482

Cc1cc(F)c2c(c1)C(=O)Nc1cc(C(=O)O)ccc1S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 4/20 0.44
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
NOX1 Q9Y5S8 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
CYBB P04839 1/20 0.38
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.38
SNCA P37840 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17085928 0.83 TP53 (0.49) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL29441735 0.81 TP53 (0.58) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL17085854 0.81 TP53 (0.58) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL17086128 0.78 TP53 (0.57) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL19984566 0.77 POLB (0.52) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL30186428 0.76 TP53 (0.58) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL5057271 0.76 TP53 (0.58) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL23094972 0.75 HPGD (0.55) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL5062829 0.75 TP53 (0.57) TP53MAPTSMN1; SMN2POLBHTT
SCHEMBL4670438 0.73 HPGD (0.70) TP53MAPTSMN1; SMN2POLBHTT

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-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed