SCHEMBL400000

SCHEMBL400000

CCn1c2ccccc2c2cc(C(N)=O)c(NCCN(C(=O)O)C(C)(C)C)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PTGER4 P35408 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
NPY5R Q15761 5/20 0.36

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
SCHEMBL398433 0.83 KDM4E (0.53) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL3443305 0.83 KDM4E (0.53) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL401059 0.79 KDM4E (0.57) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL400462 0.78 KDM4E (0.50) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL397629 0.78 KDM4E (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL399931 0.77 KDM4E (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL14457086 0.74 KDM4E (0.46) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL398445 0.73 KDM4E (0.74) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL399576 0.73 KDM4E (0.38) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL399320 0.72 KDM4E (0.44) KDM4EALDH1A1GAAHPGDHSD17B10

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-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed