SCHEMBL25057477

SCHEMBL25057477

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ALB P02768 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ P2RX3 P56373 1/20 0.49
▸ ADORA3 P0DMS8 2/20 0.44
▸ HPRT1 P00492 8/20 0.43
▸ TYMP P19971 2/20 0.43

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
SCHEMBL25057498 0.89 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL20327576 0.88 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21417219 0.88 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21132949 0.87 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21417395 0.87 ALDH1A1 (0.69) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL24320904 0.84 ALDH1A1 (0.65) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21540015 0.82 ALDH1A1 (0.73) ALDH1A1LMNAALBMAPK1P2RX3
Didanosine SCHEMBL284944 0.81 ALDH1A1 (0.91) ALDH1A1LMNAALBMAPK1P2RX3
Didanosine SCHEMBL887093 0.81 ALDH1A1 (0.91) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21636980 0.81 ALDH1A1 (0.61) 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
EP-3934757-B1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-02-22 — — EP disclosed
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