SCHEMBL21540035

SCHEMBL21540035

Nc1ncnc2c1ncn2C1CC(OP(=O)(O)OCC2CCC(n3cnc4c(=O)[nH]cnc43)O2)C(COP(=O)(O)O)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RNASEL Q05823 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ DNPH1 O43598 1/20 0.49
▸ PRKAB2 O43741 1/20 0.49
▸ TRPM2 O94759 1/20 0.49
▸ LDHA P00338 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ FBP1 P09467 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ P2RY2 P41231 1/20 0.49
▸ P2RY1 P47900 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA2 P54646 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL21539898 1.00 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL21539867 1.00 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL21539922 0.94 ALDH1A1 (0.57) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL25582525 0.93 RNASEL (0.57) RNASELPOLBDNPH1PRKAB2TRPM2
SCHEMBL21636993 0.93 ALDH1A1 (0.48) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL20325281 0.93 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL21540016 0.91 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL21539917 0.91 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL21540023 0.91 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1RNASEL
SCHEMBL20324588 0.91 RNASEL (0.48) RNASELPOLBDNPH1PRKAB2TRPM2

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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