SCHEMBL6288077

SCHEMBL6288077

NC(=O)CC[C@@](N)(C(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@](N)(CCC(N)=O)C(=O)Cc3c[nH]c4ccccc34)cc2)c2ccc(NC(=O)[C@@](N)(CCC(N)=O)C(=O)Cc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HRH3 Q9Y5N1 3/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 6/20 0.41
HDAC1 Q13547 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
GOT1 P17174 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
PTBP1 P26599 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6288045 0.90 MAPK8 (0.44) MAPK8L3MBTL1ALDH1A1HRH3IDO1
SCHEMBL6287787 0.88 L3MBTL1 (0.44) MAPK8L3MBTL1ALDH1A1HRH3IDO1
SCHEMBL6287689 0.88 L3MBTL1 (0.44) MAPK8L3MBTL1ALDH1A1HRH3IDO1
SCHEMBL6286770 0.87 GOT1 (0.41) MAPK8L3MBTL1ALDH1A1HRH3IDO1
Hydrochloric Acid SCHEMBL6290971 0.87 MC4R (0.43) MAPK8L3MBTL1ALDH1A1HRH3MAPT
Hydrochloric Acid SCHEMBL6286771 0.87 MC4R (0.43) MAPK8L3MBTL1ALDH1A1HRH3MAPT
Trifluoroacetic Acid SCHEMBL6287929 0.84 MC4R (0.43) L3MBTL1ALDH1A1HRH3MAPTSMN1; SMN2
SCHEMBL6287427 0.84 MEN1 (0.47) L3MBTL1ALDH1A1HRH3MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6290842 0.83 MC3R (0.44) L3MBTL1ALDH1A1HRH3MAPTSMN1; SMN2
SCHEMBL6287338 0.81 MAPT (0.43) ALDH1A1MAPTHDAC1KMT2AKDM4E

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-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed