SCHEMBL24258540

SCHEMBL24258540

CC1CCC(n2cnc3c(=O)n4cc[nH]c4nc32)O1

nearest known ligand 0.39

Predicted protein targets (top 5)

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
▸ CYP1A2 P05177 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
SCHEMBL20908767 0.84 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24258568 0.78 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL4528206 0.76 PNP (0.54) LMNA
SCHEMBL21362231 0.73 CDK1 (0.36) ALDH1A1LMNAMAPK1
SCHEMBL10015783 0.72 ALDH1A1 (0.68) ALDH1A1LMNAALBMAPK1
SCHEMBL2294538 0.72 ALDH1A1 (0.68) ALDH1A1LMNAALBMAPK1
SCHEMBL10015776 0.72 PNP (0.48) ALDH1A1LMNAALBMAPK1
SCHEMBL20908775 0.72 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL24258539 0.72 SLC29A1 (0.42) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL23619277 0.70 ALDH1A1 (0.33) ALDH1A1

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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