SCHEMBL21786716

SCHEMBL21786716

CCCc1ncc(C#N)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
EGLN2 Q96KS0 2/20 0.38
HTT P42858 2/20 0.37
PTGER4 P35408 1/20 0.36
GRM5 P41594 1/20 0.35
HPGDS O60760 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
CTSK P43235 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CTSS P25774 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL24595125 0.85 PTGER4 (0.41) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL7213446 0.82 HRH4 (0.37) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL19171969 0.81 HTT (0.43) KDM4EALDH1A1L3MBTL1HTTPTGER4
SCHEMBL29395259 0.80 KDM4E (0.39) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL25238478 0.80 KDM4E (0.39) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL25786530 0.80 KDM4E (0.39) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL1425018 0.77 EGLN2 (0.37) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL21786710 0.77 EGLN2 (0.37) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL17883962 0.75 GRM5 (0.43) KDM4EALDH1A1L3MBTL1EGLN2HTT
SCHEMBL30624366 0.72 HTT (0.44) KDM4EALDH1A1L3MBTL1EGLN2HTT

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
WO-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 WO disclosed