SCHEMBL11201451

SCHEMBL11201451

CCC(=O)c1ncc(C)nc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.35
JAK3 P52333 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.33
ABL1 P00519 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL9782944 0.85 GRM5 (0.35) MAPKAPK2JAK3L3MBTL1POLBALDH1A1
SCHEMBL15751419 0.83 GSK3B (0.37) JAK3L3MBTL1POLBALDH1A1KDM4E
SCHEMBL14684041 0.83 GRM5 (0.34) JAK3L3MBTL1POLBALDH1A1GRM5
SCHEMBL3403252 0.79 KDM4E (0.37) L3MBTL1POLBALDH1A1KDM4ELMNA
SCHEMBL18502143 0.78 GRM5 (0.49) MAPKAPK2ALDH1A1GRM5
SCHEMBL30112052 0.78 HPGD (0.39) JAK3ALDH1A1KDM4EGRM5HPGD
SCHEMBL7422568 0.78 HPGD (0.39) JAK3ALDH1A1KDM4EGRM5HPGD
SCHEMBL29361842 0.78 SMN1; SMN2 (0.40) JAK3POLBKDM4EGRM5KMT2A
SCHEMBL2491805 0.78 SMN1; SMN2 (0.40) JAK3POLBKDM4EGRM5KMT2A
SCHEMBL3460085 0.76 SIRT3 (0.37) JAK3POLBALDH1A1KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103797000-A Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO LTD 2014-05-14 CN disclosed
CN-102292826-A Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound 2011-12-21 CN disclosed
EP-0076085-A1 Production of monoacylpyrazines PHILIP MORRIS INCORPORATED (US) 1983-04-06 EP disclosed