SCHEMBL6940438

SCHEMBL6940438

N#Cc1cn(CCC[C@H](O)Cn2cnc(C(N)=O)c2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
P2RX7 Q99572 1/20 0.41
PRMT5 O14744 1/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL7072052 0.84 MAPT (0.45) MAPTHTTLMNATSHRMAPK1
SCHEMBL6938261 0.79 LMNA (0.45) LMNA
SCHEMBL6940434 0.77 ADA (0.56) MAPTHTTLMNATSHRMAPK1
SCHEMBL6942807 0.75 L3MBTL1 (0.44) HTTTSHRL3MBTL1SMN1; SMN2TDP1
SCHEMBL6941444 0.75 KMO (0.44) LMNAL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL6170042 0.73 ADA (0.54) MEN1
SCHEMBL6168401 0.72 ADA (0.59) MAPTLMNATDP1KMT2AMEN1
SCHEMBL6173074 0.72 ADA (0.53)
SCHEMBL6133390 0.71 ADA (0.46) MAPTLMNATDP1ALDH1A1KMT2A
SCHEMBL6940404 0.71 ADA (0.47)

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed