SCHEMBL30169368

SCHEMBL30169368

O=c1c2ccccc2nc(-c2ccccn2)n1C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLAT P00750 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
SCHEMBL30169508 0.86 GAA (0.51) GAAALOX15MEN1KMT2AATM
SCHEMBL30169382 0.85 GAA (0.46) GAAALOX15MEN1KMT2AATM
SCHEMBL30169573 0.85 GAA (0.46) GAAALOX15MEN1KMT2AATM
SCHEMBL30169605 0.85 GAA (0.46) GAAALOX15MEN1KMT2AATM
SCHEMBL30169501 0.85 GAA (0.46) GAAALOX15MEN1KMT2AATM
SCHEMBL12893949 0.82 TP53 (0.59) TP53POLB
SCHEMBL13319463 0.82 CYP11B2 (0.50) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL30169404 0.81 NPC1 (0.44) GAAALOX15ALDH1A1HTTNPC1
SCHEMBL30327130 0.81 POLB (0.42) GAAALOX15MEN1KMT2ATSHR
SCHEMBL30334639 0.75 POLB (0.40) GAAALDH1A1LMNAPOLBCYP2C9

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