SCHEMBL11544700

SCHEMBL11544700

Cn1nc(NCc2ccccc2)c(C#N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 9/20 0.49
HPGD P15428 6/20 0.49
HTT P42858 5/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 4/20 0.47
HIF1A Q16665 2/20 0.47
POLB P06746 1/20 0.47
CHUK O15111 1/20 0.46
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK10 P53779 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL9912488 0.75 GAA (0.50) LRRK2ALDH1A1KDM4EMAPTTSHR
SCHEMBL6189743 0.72 HPGD (0.52) LRRK2ALDH1A1KDM4EHPGDHTT
SCHEMBL17173944 0.71 TSHR (0.46) ALDH1A1KDM4EHTTMAPTTSHR
SCHEMBL11704744 0.70 MAPK8 (0.54) LRRK2ALDH1A1KDM4EHPGDHTT
SCHEMBL5344963 0.70 LMNA (0.51) LRRK2ALDH1A1KDM4EHPGDHTT
SCHEMBL17173942 0.70 LMNA (0.56) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL11544407 0.69 MAPT (0.50) ALDH1A1HPGDHTTMAPTTSHR
SCHEMBL4029100 0.69 ACHE (0.59) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL6443545 0.69 ADORA1 (0.63) CHUK
SCHEMBL12862579 0.68 CA1 (0.52) ALDH1A1KDM4EHPGDHTTMAPT

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-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed