SCHEMBL6879376

SCHEMBL6879376

COc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
ADRA2A P08913 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
RAF1 P04049 1/20 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
SCHEMBL6879371 1.00 KMT2A (0.53) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6878618 0.94 NPSR1 (0.48) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6878623 0.94 NPSR1 (0.48) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6875749 0.91 MAPT (0.46) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6875743 0.91 MAPT (0.46) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6867674 0.91 ADRA2A (0.47) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6867680 0.91 ADRA2A (0.47) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6873527 0.89 ADRA2A (0.46) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6873523 0.89 ADRA2A (0.46) KMT2AMAPTMEN1ADRA2AMCHR1
SCHEMBL6873000 0.89 MCHR1 (0.47) KMT2AMAPTMEN1ADRA2AMCHR1

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