SCHEMBL11047997

SCHEMBL11047997

CCCCCc1nc2ncnc-2c(N)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
HSPA5 P11021 2/20 0.46
HSPA8 P11142 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ADORA2A P29274 4/20 0.43
ADORA2B P29275 3/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL2589332 0.79 HSPA8 (0.52) ADORA3HSPA5HSPA8RXFP1ADORA2A
SCHEMBL3074979 0.72 HSPA8 (0.72) ADORA3HSPA5HSPA8RXFP1ADORA2A
SCHEMBL3074984 0.72 HSPA8 (0.72) ADORA3HSPA5HSPA8RXFP1ADORA2A
SCHEMBL2578475 0.71 HSPA8 (0.48) HSPA5HSPA8RXFP1
SCHEMBL7153587 0.71 HSPA5 (0.42) ADORA3HSPA5HSPA8RXFP1ADORA2A
SCHEMBL10813250 0.71 TP53 (0.60) ADORA3ADORA2AADORA2B
SCHEMBL1628130 0.71 TP53 (0.60) ADORA3ADORA2AADORA2B
SCHEMBL3980502 0.71 TP53 (0.60) ADORA3ADORA2AADORA2B
SCHEMBL5672460 0.70 HSPA8 (0.69) ADORA3HSPA5HSPA8RXFP1ADORA2A
SCHEMBL4376144 0.70 HSPA8 (0.69) ADORA3HSPA5HSPA8RXFP1ADORA2A

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-59010518-A None JP disclosed
JP-S5910518-A ANTITUMOR EFFECT INTENSIFIER YAMASA SHOYU CO LTD 1984-01-20 JP disclosed