SCHEMBL21637018

SCHEMBL21637018

O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO[PH](=O)O)O1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ ALB P02768 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ TYMP P19971 4/20 0.47
▸ P2RX3 P56373 1/20 0.46
▸ ADORA3 P0DMS8 3/20 0.44
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ STING1 Q86WV6 3/20 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
SCHEMBL21637009 0.91 ALDH1A1 (0.70) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21859157 0.88 ALDH1A1 (0.66) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21417219 0.85 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL20327576 0.85 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL18823015 0.85 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL20324788 0.85 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL21540015 0.85 ALDH1A1 (0.73) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL16695885 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL16695883 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP
Didanosine SCHEMBL1674335 0.83 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1TYMP

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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