SCHEMBL21637037

SCHEMBL21637037

NC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.78
▸ LMNA P02545 1/20 0.78
▸ ALB P02768 1/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ STING1 Q86WV6 3/20 0.46
▸ TYMP P19971 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL24358288 0.89 ALDH1A1 (0.80) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL1674335 0.88 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL16695888 0.88 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL3363 0.88 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL16695883 0.88 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL16695885 0.88 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL5021456 0.88 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL13769966 0.88 ALDH1A1 (0.78) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL7904473 0.86 ALDH1A1 (0.95) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL2327408 0.86 ALDH1A1 (0.85) ALDH1A1LMNAALBMAPK1STING1

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
WO-2020016782-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN BIOTECH, INC. (US) 2020-01-23 — — WO disclosed
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