SCHEMBL10338482

SCHEMBL10338482

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSc2ccccc2)[C@@H](F)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNMT Q14749 1/20 0.66
AHCY P23526 6/20 0.61
NADK O95544 1/20 0.61
DOT1L Q8TEK3 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
SLC29A1 Q99808 2/20 0.58
ADORA1 P30542 2/20 0.58
DPP4 P27487 1/20 0.58
MEN1 O00255 1/20 0.58
SLC28A1 O00337 1/20 0.58
MAP3K7 O43318 1/20 0.58
SLC28A2 O43868 1/20 0.58
GAPDH P04406 1/20 0.58
MAPK1 P28482 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
STAT6 P42226 1/20 0.58
PI4KA P42356 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 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
SCHEMBL10338481 1.00 GNMT (0.66) GNMTAHCYNADKDOT1LADORA3
SCHEMBL969049 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL21418729 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL12150762 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL969053 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL9737249 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL6712774 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL12300475 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL6721572 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1
SCHEMBL12030590 0.82 ADORA3 (0.80) AHCYNADKDOT1LADORA3SLC29A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2073018-A None JP disclosed
JP-H0273018-A AGENT FOR SUPPRESSING METASTASIS OF CANCER ASAHI GLASS CO LTD 1990-03-13 JP disclosed