SCHEMBL21636980

SCHEMBL21636980

N#CCCOP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ALB P02768 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ P2RX3 P56373 1/20 0.51
▸ TYMP P19971 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.43
▸ HPRT1 P00492 8/20 0.42
▸ P2RY2 P41231 1/20 0.38
▸ P2RY4 P51582 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL21539861 1.00 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL22990456 0.86 ALDH1A1 (0.43) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21417219 0.86 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL20327576 0.86 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL24320904 0.85 ALDH1A1 (0.65) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL25057498 0.84 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21417395 0.84 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21132949 0.84 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21539864 0.82 ALDH1A1 (0.63) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL25057477 0.81 ALDH1A1 (0.64) ALDH1A1LMNAALBMAPK1P2RX3

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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