SCHEMBL30399993

SCHEMBL30399993

CN1CCC(n2cnc3sc(-c4ccccn4)nc3c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
ATR Q13535 1/20 0.41
AADAT Q8N5Z0 2/20 0.40
GRM1 Q13255 7/20 0.39
HRH3 Q9Y5N1 1/20 0.38
GRM5 P41594 5/20 0.37
MIF P14174 1/20 0.37
GABRA1 P14867 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL30186760 0.73 TLR8 (0.43) AADAT
SCHEMBL30186684 0.71 TOP2A (0.35) AADATMAPK14
SCHEMBL30334761 0.70 GRM1 (0.38) GRM1KDM4EALDH1A1GSK3BDYRK1A
SCHEMBL30327248 0.69 CLK1 (0.39) GRM1HRH3GRM5MIFGABRA1
SCHEMBL30169432 0.67 ACVR1 (0.51) HRH3KDM4EALDH1A1KMT2ANPC1
SCHEMBL8236952 0.65 GRM1 (0.86) GRM1GRM5KDM4EALDH1A1
SCHEMBL30169508 0.65 GAA (0.51) HRH3KDM4EALDH1A1KMT2ATSHR
SCHEMBL30400928 0.64 MIF (0.47) MIFGABRA1KDM4EALDH1A1IDO1
SCHEMBL13801127 0.64 KDM4E (0.63) MIFGABRA1KDM4EALDH1A1IDO1
SCHEMBL15939645 0.64 GRM1 (0.55) GRM1

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
CN-116096725-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2023-05-09 CN disclosed