SCHEMBL7045452

SCHEMBL7045452

COc1ccc(Cl)cc1NC(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
POLB P06746 4/20 0.46
IGF1R P08069 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ADRA2A P08913 2/20 0.43
MCHR1 Q99705 2/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL7045454 1.00 KMT2A (0.58) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL6458735 0.91 MAPT (0.46) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL6458744 0.91 MAPT (0.46) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL6876902 0.90 TDP1 (0.59) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL6876908 0.90 TDP1 (0.59) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL6467792 0.90 KMT2A (0.43) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL6872085 0.90 KMT2A (0.43) KMT2AMEN1ALDH1A1POLBTP53
SCHEMBL6874359 0.90 MCHR1 (0.48) KMT2AMEN1POLBMAPTADRA1A
SCHEMBL6868128 0.90 MCHR1 (0.46) KMT2AMEN1ALDH1A1MAPTADRA1A
SCHEMBL6874353 0.90 MCHR1 (0.48) KMT2AMEN1POLBMAPTADRA1A

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