SCHEMBL6878618

SCHEMBL6878618

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPT P10636 5/20 0.46
ADRA2A P08913 1/20 0.45
MCHR1 Q99705 1/20 0.45
LMNA P02545 4/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL6878623 1.00 NPSR1 (0.48) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6879376 0.94 KMT2A (0.53) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6879371 0.94 KMT2A (0.53) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6874051 0.91 L3MBTL1 (0.45) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6874045 0.91 L3MBTL1 (0.45) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6873000 0.90 MCHR1 (0.47) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6873005 0.90 MCHR1 (0.47) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6867680 0.89 ADRA2A (0.47) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6867674 0.89 ADRA2A (0.47) NPSR1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6458735 0.88 MAPT (0.46) NPSR1L3MBTL1MEN1KMT2AMAPT

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