SCHEMBL8207328

SCHEMBL8207328

NOC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.68
▸ P2RY1 P47900 4/20 0.58
▸ ADORA1 P30542 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ P2RY2 P41231 3/20 0.58
▸ SRC P12931 2/20 0.58
▸ DNPH1 O43598 1/20 0.58
▸ PRKAB2 O43741 1/20 0.58
▸ TRPM2 O94759 1/20 0.58
▸ LDHA P00338 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ FBP1 P09467 1/20 0.58
▸ PRKAG1 P54619 1/20 0.58
▸ PRKAA2 P54646 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ PRKAA1 Q13131 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ TAS1R3 Q7RTX0 1/20 0.58
▸ TAS1R1 Q7RTX1 1/20 0.58

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
SCHEMBL7197169 0.88 TYMP (0.68) TYMPP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL6560740 0.88 TYMP (0.68) TYMPP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL7197163 0.88 TYMP (0.68) TYMPP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL17440176 0.87 ADORA1 (0.76) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL481524 0.87 ADORA1 (0.76) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL2040670 0.87 ADORA1 (0.76) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL91050 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL3164068 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL272122 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL21139429 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A

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
US-6043228-A O6 -substituted guanine derivatives, a process for their preparation and their use in treating tumor cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-28 — — US claimed
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