SCHEMBL1008841

SCHEMBL1008841

C=C(Cl)c1cccnc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.39
CYP11B1 P15538 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 4/20 0.33
ELANE P08246 4/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
KCNMA1 Q12791 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM1 Q13255 1/20 0.33
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
AGER Q15109 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10632437 0.81 PLCG1 (0.45) PLCG1CYP11B1LMNASMN1; SMN2KDM4E
SCHEMBL15176127 0.81 PLCG1 (0.42) PLCG1CYP11B1LMNASMN1; SMN2KDM4E
SCHEMBL1663588 0.76 KDM4E (0.57) PLCG1LMNASMN1; SMN2KDM4EELANE
SCHEMBL9596105 0.74 PARP1 (0.56) PLCG1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL2961058 0.74 PLCG1 (0.49) PLCG1LMNASMN1; SMN2KDM4EELANE
SCHEMBL2718276 0.74 PARP1 (0.56) PLCG1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL10402120 0.74 KDM4E (0.55) PLCG1LMNASMN1; SMN2KDM4EELANE
Potassium Ion SCHEMBL10402119 0.73 PLCG1 (0.44) PLCG1CYP11B1LMNASMN1; SMN2KDM4E
SCHEMBL16202157 0.72 SMN1; SMN2 (0.59) LMNASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL3465036 0.70 PLCG1 (0.56) PLCG1LMNAKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed