SCHEMBL23516965

SCHEMBL23516965

CC(C)OC[C@@H]1CC[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALB P02768 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ HINT1 P49773 3/20 0.46
▸ PNP P00491 1/20 0.44
▸ NT5E P21589 1/20 0.44
▸ HPRT1 P00492 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ BCHE P06276 1/20 0.42

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
SCHEMBL26794936 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL22523989 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL18520392 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL25057493 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL25914428 0.87 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL22402617 0.87 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL18763358 0.87 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL16144132 0.86 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL24633250 0.85 POLB (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL16552341 0.85 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1POLB

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-2021252557-A1 RNAI COMPOSITIONS AND METHODS OF USE THEREOF FOR DELIVERY BY INHALATION ALNYLAM PHARMACEUTICALS, INC. (US) 2021-12-16 — — WO disclosed
WO-2021119226-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) IRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2021-06-17 — — WO disclosed
Send feedback