SCHEMBL16638407

SCHEMBL16638407

Cc1ccc2c(c1)c1c(n2CC(N)c2ccncc2)CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.50
NTSR1 P30989 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
BCHE P06276 2/20 0.48
HRH1 P35367 5/20 0.47
HTR6 P50406 5/20 0.47
GRIN2D O15399 2/20 0.41

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
SCHEMBL12480287 0.88 HRH1 (0.57) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL16638424 0.87 KMT2A (0.62) KMT2AMEN1LMNAKDM4EL3MBTL1
SCHEMBL12480779 0.85 HRH1 (0.56) KMT2AMEN1BCHEHRH1HTR6
SCHEMBL16638726 0.85 SIRT2 (0.46) KMT2AMEN1LMNAKDM4EL3MBTL1
SCHEMBL12480635 0.85 HRH1 (0.67) BCHEHRH1HTR6GRIN2DGRIN3B
SCHEMBL17119768 0.83 KMT2A (0.38) KMT2AMEN1LMNAKDM4EL3MBTL1
SCHEMBL16638423 0.77 KMT2A (0.58) KMT2AMEN1LMNAKDM4EL3MBTL1
SCHEMBL13834008 0.77 HRH1 (0.44) KMT2AMEN1LMNAKDM4EL3MBTL1
SCHEMBL13293768 0.76 HRH1 (0.58) KMT2AMEN1KDM4EL3MBTL1MAPK1
SCHEMBL3236375 0.76 HRH1 (0.58) KMT2AMEN1LMNAKDM4EL3MBTL1

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-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed