SCHEMBL21539899

SCHEMBL21539899

Nc1ncnc2c1ncn2C1CCC(COP(=O)(S)OC2CC(n3cnc4c(=O)[nH]cnc43)OC2COP(=O)(O)S)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALB P02768 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ STING1 Q86WV6 1/20 0.47
▸ ENPP1 P22413 2/20 0.46
▸ P2RY1 P47900 2/20 0.46
▸ DTYMK P23919 2/20 0.44
▸ DNPH1 O43598 1/20 0.44
▸ PRKAB2 O43741 1/20 0.44
▸ TRPM2 O94759 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ FBP1 P09467 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ P2RY2 P41231 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44

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
SCHEMBL20763160 0.93 POLB (0.54) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL22352121 0.93 POLB (0.54) POLBENPP1P2RY1DNPH1PRKAB2
SCHEMBL16221597 0.91 POLB (0.51) POLBSTING1ENPP1P2RY1DTYMK
SCHEMBL20326935 0.91 POLB (0.51) POLBSTING1ENPP1P2RY1DTYMK
SCHEMBL22434567 0.91 POLB (0.51) POLBSTING1ENPP1P2RY1DTYMK
SCHEMBL21540035 0.90 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL21132939 0.90 POLB (0.49) POLBSTING1ENPP1P2RY1DNPH1
SCHEMBL21539898 0.90 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL21133327 0.90 POLB (0.49) POLBSTING1ENPP1P2RY1DNPH1
SCHEMBL21133334 0.90 POLB (0.49) POLBSTING1ENPP1P2RY1DNPH1

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-3233882-B1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2019-10-30 — — EP disclosed
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