SCHEMBL25818110

SCHEMBL25818110

Cc1cn2nc(C)c(O)c(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
COMT P21964 1/20 0.34
DYRK1A Q13627 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
NPC1 O15118 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL14341761 0.82 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10DYRK1ASMPD3
SCHEMBL24163736 0.74 COMT (0.35) ALDH1A1HPGDHSD17B10COMTDYRK1A
SCHEMBL27008214 0.67 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10COMTSMPD3
SCHEMBL21752735 0.67 TDP1 (0.43) ALDH1A1HSD17B10NPC1MAPTRAB9A
SCHEMBL20528869 0.67 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10DYRK1ASMPD3
SCHEMBL24163730 0.67 PIK3R1 (0.32)
SCHEMBL20848275 0.66 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10SMPD3MAPT
SCHEMBL19939404 0.65 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10DYRK1ANPC1
SCHEMBL3469124 0.65 PDE10A (0.43) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL3970342 0.65 KDM4E (0.52) ALDH1A1HPGDHSD17B10DYRK1ASMPD3

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-2023133225-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
WO-2023133229-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed