SCHEMBL30480262

SCHEMBL30480262

CCNc1ccnc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
AOC1 P19801 1/20 0.37
AOC3 Q16853 1/20 0.37
CTSS P25774 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
UTS2R Q9UKP6 4/20 0.33
KDM4A O75164 2/20 0.33
KDM4B O94953 2/20 0.33
KDM5C P41229 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
GRM5 P41594 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPA Q5VT25 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL30480241 0.86 UTS2R (0.40) IDO1EGLN1UTS2RHTR1AADRA1D
SCHEMBL28103857 0.81 EGLN1 (0.32) EGLN1KDM4AKDM4BKDM5CKDM5B
SCHEMBL18879077 0.79 ROCK1 (0.44) AOC1AOC3EGLN1KDM4AKDM4B
SCHEMBL30480244 0.79 HTR1A (0.35) EGLN1UTS2RHTR1AADRA1DADRA1A
SCHEMBL8970025 0.74 KDM4A (0.38) EGLN1KDM4AKDM4BKDM5CKDM5B
SCHEMBL17009428 0.73 SMN1; SMN2 (0.50) KDM4AKDM4BKDM5CKDM5B
SCHEMBL29830290 0.73 SMN1; SMN2 (0.50) KDM4AKDM4BKDM5CKDM5B
SCHEMBL30480252 0.72 CTSS (0.36) CTSSGRM5
SCHEMBL1664855 0.71 PARP1 (0.43) KDM4AKDM4BKDM5CKDM5BHTR1A
SCHEMBL29507176 0.71 PARP1 (0.43) KDM4AKDM4BKDM5CKDM5BHTR1A

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-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 CN disclosed