SCHEMBL28237443

SCHEMBL28237443

CC[C@@]1(n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@@H](O)[C@]1(O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HINT1 P49773 4/20 0.43
ADORA3 P0DMS8 1/20 0.42
BLM P54132 2/20 0.41
PNP P00491 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
EDNRA P25101 1/20 0.41
HTR2A P28223 1/20 0.41
RECQL P46063 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
VCP P55072 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL237755 0.81 HPGD (0.46) HPGDHINT1ADORA3BLMPNP
SCHEMBL8863836 0.80 ADORA3 (0.41) HPGDHINT1ADORA3BLMPNP
SCHEMBL25329771 0.80 ADORA2A (0.48) ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL5611914 0.80 ADORA3 (0.46) HPGDHINT1ADORA3BLMPNP
SCHEMBL30087432 0.80 HPGD (0.44) HPGDHINT1ADORA3BLMPNP
SCHEMBL1964956 0.79 TK1 (0.46) HPGDHINT1ADORA3BLMPNP
SCHEMBL8840773 0.79 TK1 (0.43) HPGDHINT1ADORA3BLMPNP
SCHEMBL14782967 0.79 HPGD (0.46) HPGDHINT1ADORA3BLMPNP
SCHEMBL16555280 0.79 TK1 (0.44) HPGDHINT1ADORA3BLMPNP
SCHEMBL28707584 0.78 TK1 (0.46) HPGDADORA3BLMPNPUSP2

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
CN-110199023-A Ahlport syndrome medicine 第一三共株式会社 2019-09-03 CN disclosed
CN-108473526-A Process for producing oligonucleotide and nucleoside, nucleotide or oligonucleotide 味之素株式会社 2018-08-31 CN disclosed