SCHEMBL21539912

SCHEMBL21539912

C=CCOP(=O)(OCCC#N)O[C@H]1CC(n2cnc3c(=O)[nH]cnc32)OC1CO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TYMP P19971 1/20 0.42
▸ P2RX3 P56373 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38
▸ HPRT1 P00492 3/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL21417605 0.90 P2RX3 (0.41) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL17860563 0.86 TYMP (0.40) TYMPKDM4EP2RY1POLB
SCHEMBL17860594 0.84 P2RX3 (0.43) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21539862 0.82 P2RX3 (0.45) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL17860537 0.82 P2RX3 (0.45) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21417368 0.81 P2RX3 (0.46) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL5694043 0.81 SLC29A1 (0.38) LMNAP2RY1
SCHEMBL17860491 0.80 P2RY12 (0.39) TYMPP2RY1
SCHEMBL17860588 0.80 ADORA1 (0.40) P2RY1POLB
SCHEMBL21540037 0.79 P2RX3 (0.46) 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
EP-3233882-B1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2019-10-30 — — EP disclosed
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