SCHEMBL7072052

SCHEMBL7072052

N#Cc1cn(CCC[C@@H](Cn2cnc(C(N)=O)c2)OCc2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.39
P2RX7 Q99572 1/20 0.38
IMPDH2 P12268 1/20 0.36
ADA P00813 2/20 0.35

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
SCHEMBL6940438 0.84 MAPT (0.46) MAPTHTTLMNATSHRMAPK1
SCHEMBL6939156 0.82 ADA (0.46) LMNAADA
SCHEMBL5671897 0.79 ADA (0.47) KMT2AMEN1ADA
SCHEMBL6169457 0.79 ADA (0.49) LMNAKMT2AADA
SCHEMBL7072044 0.79 ADA (0.42) MAPTHTTLMNATSHRMAPK1
SCHEMBL7072049 0.79 ADA (0.42) MAPTHTTLMNATSHRMAPK1
SCHEMBL6169467 0.78 ADA (0.48) LMNAKMT2AADA
SCHEMBL6936458 0.78 L3MBTL1 (0.43) HTTTSHRMAPK1L3MBTL1SMN1; SMN2
SCHEMBL6935843 0.78 KMO (0.40) LMNASMN1; SMN2POLBP2RX7ADA
SCHEMBL6938447 0.77 ADA (0.49) ADA

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