SCHEMBL28433552

SCHEMBL28433552

Nc1ncnc2c1ncn2OCC(O)CO

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AHCY P23526 13/20 0.60
ADORA2A P29274 5/20 0.60
ADORA1 P30542 3/20 0.51
ADORA2B P29275 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9685561 0.81 CYP3A4 (0.47) AHCYADORA2AADORA1ALDH1A1
SCHEMBL9857534 0.80 FGFR1 (0.57) AHCYADORA2AADORA1ALDH1A1
SCHEMBL9555564 0.77 CYP3A4 (0.55) AHCYADORA2AADORA1
SCHEMBL9294993 0.77 AHCY (0.44) AHCYADORA2AADORA1
SCHEMBL9685542 0.77 CYP3A4 (0.45) AHCYADORA2AADORA1
SCHEMBL9555809 0.77 CYP3A4 (0.55) AHCYADORA2AADORA1
SCHEMBL9295013 0.77 AHCY (0.44) AHCYADORA2AADORA1
SCHEMBL9417190 0.77 CYP3A4 (0.55) AHCYADORA2AADORA1
SCHEMBL9683794 0.77 CYP3A4 (0.41) AHCYADORA2AADORA1ADORA2BALDH1A1
SCHEMBL9180474 0.76 CYP3A4 (0.57) AHCYADORA2AADORA1ALDH1A1

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
CN-210905056-U Extraction separation device for processing of extracted GLA 昆明沐仁生物科技有限公司 2020-07-03 CN disclosed