SCHEMBL30169508

SCHEMBL30169508

CN1CCC(n2c(-c3ccccn3)nc3ccccc3c2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.47
METAP1 P53582 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CYP2C9 P11712 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30169368 0.86 GAA (0.50) GAAALOX15TSHRMEN1KMT2A
SCHEMBL30334596 0.83 SMN1; SMN2 (0.46) GAAALOX15TSHRMEN1KMT2A
SCHEMBL14293758 0.83 POLB (0.47) METAP1MAPT
SCHEMBL30169573 0.81 GAA (0.46) GAAALOX15TSHRMETAP1MEN1
SCHEMBL30169382 0.81 GAA (0.46) GAAALOX15TSHRMETAP1MEN1
SCHEMBL30169501 0.81 GAA (0.46) GAAALOX15TSHRMETAP1MEN1
SCHEMBL30169605 0.81 GAA (0.46) GAAALOX15TSHRMETAP1MEN1
SCHEMBL13700974 0.72 KMT2A (0.65) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL14469497 0.71 POLB (0.46) DRD2DRD4DRD3MAPT
SCHEMBL17271375 0.71 GAA (0.86) GAAALOX15TSHRMEN1KMT2A

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-115551593-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2022-12-30 CN disclosed