SCHEMBL8943868

SCHEMBL8943868

CC1(C)[C@]2(O)[C@H](n3cnc4c(N)ncnc43)O[C@H](CSCCF)[C@]12O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.53
DOT1L Q8TEK3 5/20 0.50
DNMT3B Q9UBC3 3/20 0.50
PNMT P11086 2/20 0.50
DNMT1 P26358 2/20 0.50
PRMT7 Q9NVM4 2/20 0.48
ADORA3 P0DMS8 1/20 0.47
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
AHCY P23526 2/20 0.44
NADK O95544 1/20 0.44
CARM1 Q86X55 2/20 0.43
EHMT2 Q96KQ7 2/20 0.43
TRDMT1 O14717 1/20 0.43
PRMT5 O14744 1/20 0.43
SUV39H1 O43463 1/20 0.43
PRMT3 O60678 1/20 0.43
INMT O95050 1/20 0.43

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
SCHEMBL8943541 0.92 ADORA2A (0.55) ADORA2ADOT1LDNMT3BPNMTDNMT1
SCHEMBL5554234 0.88 ADORA2A (0.56) ADORA2ADOT1LDNMT3BPNMTDNMT1
SCHEMBL11040343 0.87 ADORA2A (0.58) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL19692161 0.87 ADORA2A (0.58) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL28156591 0.85 ADORA2A (0.64) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL1078828 0.85 ADORA2A (0.64) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL8943859 0.85 ADORA2A (0.52) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL8943715 0.84 ADORA2A (0.57) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL8943533 0.84 ADORA2A (0.53) ADORA2ADOT1LADORA3PI4KAPI4K2B
SCHEMBL9054202 0.82 ADORA2A (0.55) ADORA2ADOT1LADORA3PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563125-A 5'-deoxy-5'-(substituted)alkylthioribose compounds and their pharmaceutical compositions HEALTH RESEARCH, INC. (US) 1996-10-08 US disclosed
EP-0555352-A1 AGENTS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA AND NEOPLASTIC DISEASES HEALTH RESEARCH, INC. (US) 1993-08-18 EP disclosed
US-5180714-A ADENOSINE COMPOUNDS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA HEALTH RESEARCH, INC. (US) 1993-01-19 US disclosed
WO-1992007570-A1 AGENTS FOR THE TREATMENT OF DISEASES CAUSED BY PARASITIC PROTOZOA AND NEOPLASTIC DISEASES HEALTH RESEARCH, INC. (US) 1992-05-14 WO disclosed