SCHEMBL28675951

SCHEMBL28675951

O=S(=O)(O)CCc1ccncn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HPGDS O60760 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
KCNH3 Q9ULD8 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1B1 Q16678 1/20 0.31
EGFR P00533 1/20 0.30
SORD Q00796 1/20 0.30

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
SCHEMBL31008661 1.00 P2RX7 (0.37) P2RX7LMNATDP1NAMPTHSP90AA1
SCHEMBL4249241 0.81 RECQL (0.39) P2RX7HSP90AA1ALDH1A1KMT2ANPC1
SCHEMBL28596505 0.81 P2RX7 (0.39) P2RX7LMNATDP1NAMPTHSP90AA1
SCHEMBL497367 0.76 LMNA (0.60) LMNATDP1ALDH1A1KMT2ANPC1
SCHEMBL16399930 0.74
SCHEMBL1650881 0.74
SCHEMBL29925045 0.74 KMT2A (0.39) LMNAALDH1A1KMT2ARAB9AHTT
SCHEMBL28629862 0.74 KMT2A (0.63) LMNATDP1ALDH1A1KMT2ANPC1
SCHEMBL29924865 0.74 KMT2A (0.63) LMNATDP1ALDH1A1KMT2ANPC1
SCHEMBL30365920 0.73

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-113912382-A Light high-aluminum heat-insulation refractory brick and preparation method thereof 唐山市凯伦保温材料有限公司 2022-01-11 CN disclosed