SCHEMBL6876780

SCHEMBL6876780

COc1ccccc1CNC(=S)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.40
ADRA2A P08913 1/20 0.39
MCHR1 Q99705 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 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
SCHEMBL6876785 1.00 KMT2A (0.58) KMT2AMEN1LMNAMAPK1ADRA2A
SCHEMBL6874775 0.93 KMT2A (0.48) KMT2AMEN1LMNAADRA2AMCHR1
SCHEMBL6874778 0.93 KMT2A (0.48) KMT2AMEN1LMNAADRA2AMCHR1
SCHEMBL6876284 0.89 MEN1 (0.42) KMT2AMEN1LMNAADRA2AMCHR1
SCHEMBL6876280 0.89 MEN1 (0.42) KMT2AMEN1LMNAADRA2AMCHR1
SCHEMBL6867662 0.88 MEN1 (0.54) KMT2AMEN1LMNAMAPK1ADRA2A
SCHEMBL6867670 0.88 MEN1 (0.54) KMT2AMEN1LMNAMAPK1ADRA2A
SCHEMBL6877441 0.88 GAA (0.47) KMT2AMEN1LMNAMAPK1ADRA2A
SCHEMBL6877436 0.88 GAA (0.47) KMT2AMEN1LMNAMAPK1ADRA2A
SCHEMBL6872137 0.87 MCHR1 (0.41) KMT2AMEN1LMNAADRA2AMCHR1

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