SCHEMBL30017331

SCHEMBL30017331

COCCc1c(Br)cnc(N)c1CCOC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
LMNA P02545 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL4833930 0.81 TLR7 (0.36) TLR7LMNAGABRA1GABRG2GABRB3
SCHEMBL20489429 0.74 LMNA (0.41) HTTKMT2ALMNAGABRA1GABRG2
SCHEMBL28051797 0.74 HTT (0.46) HTTKMT2ATLR7LMNA
SCHEMBL19761022 0.71 LMNA (0.42) HTTKMT2ALMNAGABRA1GABRG2
SCHEMBL30019041 0.71 NOS2 (0.44) HTTKMT2A
SCHEMBL23534521 0.70 KMT2A (0.46) HTTKMT2ATLR7LMNA
SCHEMBL16680007 0.70 MAPK1 (0.36) TLR7LMNAMAPKAPK2
SCHEMBL16668061 0.70 MAP3K12 (0.36) TLR7
SCHEMBL28043957 0.69 NOS2 (0.44) KMT2ATLR7LMNA
SCHEMBL29586569 0.67 NOS2 (0.42) HTTKMT2A

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
WO-2022208382-A1 NOVEL DIALKOXYNAPHTHO[2,3-C]FURAN-1(3H)-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESPIRATORY DISEASE OR SARS-COV-2 INFECTION DISEASE, COMPRISING SAME 동화약품주식회사 2022-10-06 WO disclosed