SCHEMBL6875749

SCHEMBL6875749

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
EPHX1 P07099 2/20 0.46
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 7/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6875743 1.00 MAPT (0.46) MAPTKMT2AMEN1EPHX1ADRA2A
SCHEMBL6874051 0.94 L3MBTL1 (0.45) MAPTKMT2AMEN1EPHX1ADRA2A
SCHEMBL6874045 0.94 L3MBTL1 (0.45) MAPTKMT2AMEN1EPHX1ADRA2A
SCHEMBL6879376 0.91 KMT2A (0.53) MAPTKMT2AMEN1ADRA2AMCHR1
SCHEMBL6879371 0.91 KMT2A (0.53) MAPTKMT2AMEN1ADRA2AMCHR1
SCHEMBL6873049 0.91 ALDH1A1 (0.45) MAPTKMT2AMEN1ADRA2AMCHR1
SCHEMBL6873057 0.91 ALDH1A1 (0.45) MAPTKMT2AMEN1ADRA2AMCHR1
SCHEMBL6867647 0.90 ADRA2A (0.44) MAPTKMT2AMEN1ADRA2AMCHR1
SCHEMBL6867652 0.90 ADRA2A (0.44) MAPTKMT2AMEN1ADRA2AMCHR1
SCHEMBL6878467 0.88 ADRA2A (0.44) MAPTKMT2AMEN1ADRA2AMCHR1

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