SCHEMBL24258558

SCHEMBL24258558

COP(OCCC#N)OCC1CC(n2cnc3c(=O)[nH]cnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TYMP P19971 3/20 0.38
▸ HPRT1 P00492 5/20 0.36
▸ ADORA3 P0DMS8 4/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ STING1 Q86WV6 1/20 0.33

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
SCHEMBL20691935 0.78 P2RX3 (0.42) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21539864 0.70 ALDH1A1 (0.63) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL20691971 0.68 ADCY5 (0.35) TYMPADORA3
SCHEMBL9308280 0.67 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21263957 0.67 ALDH1A1 (0.41) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL2842311 0.67 TYMP (0.39) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL5438533 0.67 ALDH1A1 (0.58) ALDH1A1LMNAALBMAPK1HPRT1
SCHEMBL10394462 0.66 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL21540015 0.65 ALDH1A1 (0.73) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL20671325 0.65 ADORA3 (0.53) 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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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