SCHEMBL6876015

SCHEMBL6876015

CCOc1ccccc1NC(=S)N[C@H]1CC[C@@H](Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
ALDH1A1 P00352 4/20 0.60
ALOX12 P18054 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK14 Q16539 1/20 0.43
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6876029 1.00 LMNA (0.60) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6878402 0.90 LMNA (0.56) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6878392 0.90 LMNA (0.56) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6877173 0.89 KMT2A (0.46) LMNAALDH1A1ALOX12SMN1; SMN2KMT2A
SCHEMBL6877186 0.89 KMT2A (0.46) LMNAALDH1A1ALOX12SMN1; SMN2KMT2A
SCHEMBL6867558 0.87 KMT2A (0.44) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6867565 0.87 KMT2A (0.44) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6876224 0.85 GLA (0.48) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6876213 0.85 GLA (0.48) LMNAALDH1A1ALOX12SMN1; SMN2THRB
SCHEMBL6872864 0.83 ALDH1A1 (0.56) LMNAALDH1A1ALOX12SMN1; SMN2KMT2A

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed