SCHEMBL22280484

SCHEMBL22280484

CC(C)(C)c1cccc(Nc2ccc(-c3noc(C4CCNC4)n3)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
TLR9 Q9NR96 4/20 0.41
TLR8 Q9NR97 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDH2 P48735 2/20 0.39
PLAT P00750 1/20 0.37
GRM5 P41594 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL22280449 1.00 NR1H4 (0.44) NR1H4TLR9TLR8TLR7SYK
Hydrochloric Acid SCHEMBL22265521 0.99 NR1H4 (0.43) NR1H4TLR9TLR8TLR7SYK
Hydrochloric Acid SCHEMBL22265524 0.99 NR1H4 (0.43) NR1H4TLR9TLR8TLR7SYK
SCHEMBL22280442 0.82 NPC1 (0.48) NR1H4TLR9TLR8TLR7LMNA
SCHEMBL22265627 0.81 LMNA (0.49) MEN1LMNAMAPTHTTRECQL
SCHEMBL22265631 0.81 LMNA (0.49) MEN1LMNAMAPTHTTRECQL
SCHEMBL22280535 0.80 LMNA (0.45) MEN1LMNAMAPTHTTRECQL
Hydrochloric Acid SCHEMBL22266011 0.79 LMNA (0.45) MEN1LMNAMAPTHTTRECQL
SCHEMBL22280267 0.79 NR1H4 (0.49) NR1H4TLR9TLR8TLR7GRM5
SCHEMBL29523141 0.78 LMNA (0.47) MEN1LMNAMAPTHTTRECQL

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed