SCHEMBL26027009

SCHEMBL26027009

N#Cc1ccc(F)c(S(=O)(=O)N2CCC3(CC2)CC(N2CCOCC2)CO3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPV4 Q9HBA0 3/20 0.38
HSD11B1 P28845 1/20 0.37
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
FASN P49327 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
HTR7 P34969 1/20 0.35
ALK Q9UM73 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRB3 P13945 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL25364560 0.91 NPC1 (0.42) NPC1RAB9ATRPV4HSD11B1TSHR
SCHEMBL26027274 0.90 ATM (0.43) TRPV4HSD11B1FASNMAPTHTT
SCHEMBL25364701 0.89 TRPV4 (0.40) NPC1RAB9ATRPV4FASNMAPT
SCHEMBL25364699 0.89 TRPV4 (0.40) NPC1RAB9ATRPV4FASNMAPT
SCHEMBL25363368 0.89 CNR1 (0.46) LMNASMN1; SMN2CNR1HTR7L3MBTL1
SCHEMBL25364135 0.89 CNR1 (0.46) LMNASMN1; SMN2CNR1HTR7L3MBTL1
SCHEMBL25363361 0.89 CNR1 (0.46) LMNASMN1; SMN2CNR1HTR7L3MBTL1
SCHEMBL25365359 0.88 NPC1 (0.39) NPC1RAB9ATRPV4FASNMAPT
SCHEMBL30539989 0.88 NPC1 (0.39) NPC1RAB9ATRPV4FASNMAPT
SCHEMBL26025566 0.88 TRPV4 (0.43) TRPV4HSD11B1ALKTRPM8

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-2023154499-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-17 WO disclosed