SCHEMBL21431111

SCHEMBL21431111

COc1ccc(C(OCC2CCC(n3cnc4c(=O)[nH]nnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.53
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
MAPK1 P28482 1/20 0.40
PAX8 Q06710 1/20 0.37
CYP1A2 P05177 1/20 0.36
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
GRM2 Q14416 1/20 0.33
BCHE P06276 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
SCHEMBL12515629 0.88 TYMP (0.68) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL20028665 0.86 TYMP (0.49) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL22879117 0.85 TYMP (0.59) TYMPPAX8
SCHEMBL15489089 0.85 TYMP (0.53) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL22643618 0.82 TYMP (0.46) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL19505895 0.82 TYMP (0.49) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL1697166 0.82 HPGD (0.50) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL21431259 0.81 TYMP (0.78) TYMPPAX8
SCHEMBL22879159 0.81 TYMP (0.78) TYMPPAX8
SCHEMBL15488819 0.81 TYMP (0.51) TYMPALDH1A1LMNAALBMAPK1

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
WO-2019185477-A1 CYCLIC DINUCLEOTIDE COMPOUNDS CONTAINING 2-AZA-HYPOXANTHINE OR 6H-PYTAZOLO[1,5-D][1,2,4]TRIAZIN-7-ONE AS STING AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-03 WO disclosed