SCHEMBL21782572

SCHEMBL21782572

CCCCSSC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)CC1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALB P02768 1/20 0.47
MAPK1 P28482 1/20 0.47
TYMP P19971 2/20 0.46
STING1 Q86WV6 8/20 0.40
POLA1 P09884 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
P2RX3 P56373 1/20 0.37

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
SCHEMBL23236898 1.00 ALDH1A1 (0.47) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL13239643 0.84 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL22458562 0.81 LMNA (0.64) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL13790668 0.81 LMNA (0.64) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL13239716 0.74 TYMP (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL12352411 0.74 TYMP (0.65) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL10098564 0.74 TYMP (0.65) ALDH1A1LMNAALBMAPK1TYMP
Deoxyinosine SCHEMBL12570174 0.71 TYMP (0.66) ALDH1A1LMNAALBMAPK1TYMP
Deoxyinosine SCHEMBL24308 0.71 TYMP (0.66) ALDH1A1LMNAALBMAPK1TYMP
Deoxyinosine SCHEMBL5982287 0.71 TYMP (0.66) 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-3617314-A1 OLIGONUCLEOTIDE DERIVATIVE OR SALT THEREOF Kyowa Kirin Co., Ltd. (JP) 2020-03-04 EP disclosed