SCHEMBL6854059

SCHEMBL6854059

O=C(Cl)Cc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
PLK1 P53350 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL6850043 0.93 ALDH1A1 (0.40) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6855682 0.91 HDAC6 (0.40) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6850033 0.90 TP53 (0.39) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6854071 0.89 TP53 (0.41) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6853738 0.89 TP53 (0.38) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6855392 0.89 MAPT (0.38) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6850222 0.88 MAPT (0.44) MAPTTP53ALDH1A1TSHRL3MBTL1
SCHEMBL6854439 0.87 MAPT (0.51) MAPTTP53ALDH1A1TSHRHPGD
SCHEMBL6850131 0.87 LMNA (0.43) MAPTTP53ALDH1A1TSHRL3MBTL1
SCHEMBL6849963 0.87 MAPT (0.39) MAPTTP53ALDH1A1TSHRHPGD

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
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed