SCHEMBL22556944

SCHEMBL22556944

COC(=O)c1cc(-c2cccc(C#N)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.60
CLK4 Q9HAZ1 2/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
EGLN1 Q9GZT9 2/20 0.48
GRM4 Q14833 1/20 0.48
ALDH1A1 P00352 1/20 0.47
USP30 Q70CQ3 4/20 0.46
XDH P47989 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
KCNH2 Q12809 2/20 0.43
TNIK Q9UKE5 2/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 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
SCHEMBL2173326 0.85 ACACB (0.50) GRM5GRM4ALDH1A1GABRG2GABRB3
SCHEMBL19385078 0.83 GRM5 (0.52) GRM5CLK4EGLN1ALDH1A1USP30
SCHEMBL30800091 0.82 ALDH1A1 (0.54) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29735406 0.81 ALDH1A1 (0.51) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3712306 0.81 ALDH1A1 (0.51) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22556954 0.80 KDM4C (0.55) GRM5CLK4ALDH1A1GABRG2GABRB3
SCHEMBL7822720 0.80 PLAU (0.61) XDHSLC22A12GABRG2GABRB3GABRA5
SCHEMBL23201168 0.80 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13188268 0.79 EGFR (0.51) ALDH1A1
SCHEMBL22557560 0.79 KMO (0.49) GRM5CLK4EGLN1DYRK1APLAU

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
WO-2020212351-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 WO disclosed
WO-2020212351-A1 SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-10-22 WO disclosed