SCHEMBL23218278

SCHEMBL23218278

O=C(O)c1coc2c(OCC3CCCO3)cc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.39
TSHR P16473 1/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
CNR2 P34972 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
PTGER1 P34995 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL23228979 0.88 KDM4E (0.42) SCN9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL28736179 0.88 KDM4E (0.42) SCN9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL29852626 0.88 KDM4E (0.42) SCN9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL23218963 0.82 SCN9A (0.36) SCN9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL29593217 0.82 SCN9A (0.36) SCN9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL23218966 0.82 SCN9A (0.36) SCN9AMEN1CYP1A2CYP2C19KMT2A
SCHEMBL28736230 0.77 CCR5 (0.40) MEN1KMT2ALMNA
SCHEMBL1505058 0.72 PTGER1 (0.57) SCN9ATSHRCNR2PTGER1
SCHEMBL23218566 0.72 MAPT (0.38) MEN1CYP1A2CYP2C19KMT2AIRAK4
SCHEMBL23218564 0.72 MAPT (0.38) MEN1CYP1A2CYP2C19KMT2AIRAK4

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed