SCHEMBL2937343

SCHEMBL2937343

CC1CC1(Cn1cnc2c(Sc3ccc([N+](=O)[O-])cc3)nc(N)nc21)O[C](COC(=O)OC(C)(C)C)COC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
SLC29A1 Q99808 3/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.31
HBB P68871 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
SCHEMBL2937081 0.89 HSP90AA1 (0.33) ADORA2ACYP2C19
SCHEMBL4264484 0.86 CYP1A2 (0.34) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL2906360 0.86 SLC29A1 (0.36) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL2908881 0.80 CYP1A2 (0.40) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL6053569 0.80 CYP1A2 (0.40) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL2936424 0.80 HK1 (0.34) CYP1A2SLC29A1ADORA2ACYP2C19
SCHEMBL2913683 0.79 SLC29A1 (0.37) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL2908647 0.78 ABCB11 (0.39) CYP1A2SLC29A1LMNARAB9ACYP3A4
SCHEMBL2943049 0.78 CYP2C19 (0.34) CYP1A2SLC29A1ADORA2ACYP2C19
SCHEMBL4271729 0.78 CYP1A2 (0.35) CYP1A2SLC29A1LMNARAB9ACYP3A4

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
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed