SCHEMBL29329931

SCHEMBL29329931

O=CNc1ccc2c(=O)[nH]cnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
ADORA2A P29274 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
XDH P47989 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PARP1 P09874 11/20 0.38
IP6K1 Q92551 1/20 0.38
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38
ALOX15 P16050 1/20 0.38
CA9 Q16790 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SRC P12931 1/20 0.38
PIM1 P11309 3/20 0.37
CHEK1 O14757 2/20 0.37

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
SCHEMBL1998246 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL21895486 0.73 XIAP (0.42) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL19153800 0.71 PARP1 (0.50) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL21808624 0.71 PARP1 (0.46) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL6837342 0.71 PARP1 (0.46) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL21339749 0.68 SRC (0.52) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL13853246 0.68 PARP1 (0.50) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL18237704 0.68 PARP1 (0.42) SMN1; SMN2TSHRLMNAADORA2ASLC6A4
SCHEMBL5841377 0.65 ALDH1A1 (0.32) ADORA2AALDH1A1DYRK1A
SCHEMBL334691 0.64 PARP1 (0.55) SMN1; SMN2TSHRLMNAADORA2ASLC6A4

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-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed