SCHEMBL9235823

SCHEMBL9235823

NC(=S)c1ccc(-c2cn3ccc(C(=O)N4CCC(OC(=O)O)CC4)cc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 4/20 0.44
▸ CHRM4 P08173 3/20 0.39
▸ PARP1 P09874 3/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HTR2B P41595 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
SCHEMBL9235366 0.91 SUV39H2 (0.44) SUV39H2CHRM4PARP1PARP2HPGD
SCHEMBL8866339 0.88 SUV39H2 (0.43) SUV39H2CHRM4PARP1PARP2HPGD
SCHEMBL9235439 0.88 SUV39H2 (0.43) SUV39H2CHRM4PARP1PARP2HPGD
SCHEMBL8867330 0.88 SUV39H2 (0.44) SUV39H2CHRM4SMN1; SMN2THRB
SCHEMBL8866874 0.82 SUV39H2 (0.44) SUV39H2CHRM4THRB
SCHEMBL8866386 0.81 SUV39H2 (0.39) SUV39H2CHRM4HPGDSMN1; SMN2TLR9
SCHEMBL8866426 0.80 SUV39H2 (0.42) SUV39H2CHRM4
SCHEMBL8868200 0.79 ITGB3 (0.49) SUV39H2CHRM4
SCHEMBL9233170 0.79 SUV39H2 (0.43) SUV39H2CHRM4PARP1PARP2HPGD
Trifluoroacetic Acid SCHEMBL9235973 0.79 SUV39H2 (0.43) SUV39H2CHRM4TLR9TLR7

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-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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