SCHEMBL18534222

SCHEMBL18534222

O=C(O)CCc1ncc(P(=O)(O)O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.43
▸ PARP1 P09874 2/20 0.38
▸ PARP2 Q9UGN5 2/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ TBXAS1 P24557 2/20 0.34
▸ CYTH3 O43739 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ EPN1 Q9Y6I3 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL16561821 0.72 FDPS (0.32) —
SCHEMBL17933349 0.70 SCN10A (0.39) APEX1ALDH1A1
SCHEMBL18534204 0.67 CYTH3 (0.53) CHRM1PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL5201259 0.66 PDE9A (0.40) CHRM1PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL3277117 0.65 FDPS (0.47) CYTH3BTKEPN1
SCHEMBL23824708 0.65 AOC3 (0.49) PRKAG1PRKAA2PRKAA1PRKAB1P4HTM
SCHEMBL18534263 0.64 HDAC6 (0.42) P4HTM
SCHEMBL18534217 0.63 RXRA (0.50) CHRM1KDM4EP4HTM
SCHEMBL19292204 0.62 TBXAS1 (0.54) TBXAS1ALDH1A1
SCHEMBL30620153 0.62 TBXAS1 (0.74) CHRM1PARP1PARP2PRKAG1PRKAA2

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-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 — — EP disclosed
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