SCHEMBL6869003

SCHEMBL6869003

COc1ccc(CCNC(=S)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
EPHX1 P07099 1/20 0.46
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
APP P05067 1/20 0.45
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 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
SCHEMBL6868999 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2AMEN1EPHX1
SCHEMBL6874444 0.92 BCHE (0.46) SMN1; SMN2KMT2AMEN1BCHEACHE
SCHEMBL6874440 0.92 BCHE (0.46) SMN1; SMN2KMT2AMEN1BCHEACHE
SCHEMBL6875779 0.88 LMNA (0.44) SMN1; SMN2MAPTBCHEACHEALDH1A1
SCHEMBL6875783 0.88 LMNA (0.44) SMN1; SMN2MAPTBCHEACHEALDH1A1
SCHEMBL6880458 0.86 KMT2A (0.46) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL6868868 0.86 KMT2A (0.56) SMN1; SMN2MAPTKMT2AMEN1ACHE
SCHEMBL6868863 0.86 KMT2A (0.56) SMN1; SMN2MAPTKMT2AMEN1ACHE
SCHEMBL6869024 0.85 KMT2A (0.58) SMN1; SMN2MAPTKMT2AMEN1EPHX1
SCHEMBL6869028 0.85 KMT2A (0.58) SMN1; SMN2MAPTKMT2AMEN1EPHX1

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