SCHEMBL29593164

SCHEMBL29593164

Nc1ccnc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.56
NR4A2 P43354 4/20 0.48
HSP90AA1 P07900 3/20 0.48
HSP90AB1 P08238 3/20 0.48
IDO1 P14902 1/20 0.48
PSMB5 P28074 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
MMP14 P50281 1/20 0.43
ALDH1A1 P00352 2/20 0.42
APAF1 O14727 1/20 0.42
TDP2 O95551 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL252078 1.00 NCF1 (0.56) NCF1NR4A2HSP90AA1HSP90AB1IDO1
Hydrochloric Acid SCHEMBL7114501 0.98 NCF1 (0.54) NCF1NR4A2HSP90AA1HSP90AB1IDO1
Ammonia Solution, Strong SCHEMBL27697627 0.98 NCF1 (0.54) NCF1NR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL8124965 0.88 NCF1 (0.46) NCF1NR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL27697573 0.85 HSP90AA1 (0.45) NCF1NR4A2HSP90AA1HSP90AB1IDO1
Water SCHEMBL27717951 0.84 HSP90AA1 (0.44) NCF1NR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL1233908 0.76 HSP90AA1 (0.52) NCF1NR4A2HSP90AA1HSP90AB1IDO1
SCHEMBL8626651 0.74 HSP90AA1 (0.46) NR4A2HSP90AA1HSP90AB1IDO1PSMB5
SCHEMBL13369856 0.73 NCF1 (0.42) NCF1NR4A2KMT2ALMNAHTT
SCHEMBL29427603 0.73 PI4KA (0.52) NCF1HSP90AA1HSP90AB1MAPTMEN1

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-114502204-A RNA combinations and compositions with reduced immunostimulatory properties 库尔维科公司 2022-05-13 CN disclosed