SCHEMBL22280442

SCHEMBL22280442

Cc1ccc(Nc2ccc(-c3noc([C@@H]4CCNC4)n3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TLR9 Q9NR96 4/20 0.45
TLR8 Q9NR97 4/20 0.45
TLR7 Q9NYK1 4/20 0.45
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL22265891 0.86 SPHK2 (0.43) NPC1RAB9ATLR9TLR8TLR7
SCHEMBL22265894 0.86 SPHK2 (0.43) NPC1RAB9ATLR9TLR8TLR7
Hydrochloric Acid SCHEMBL29523015 0.85 SPHK2 (0.42) NPC1RAB9ATLR9TLR8TLR7
SCHEMBL22280267 0.85 NR1H4 (0.49) NPC1RAB9ATLR9TLR8TLR7
SCHEMBL22280324 0.84 NPC1 (0.66) NPC1RAB9ATLR9TLR8TLR7
SCHEMBL22280323 0.84 NPC1 (0.66) NPC1RAB9ATLR9TLR8TLR7
Hydrochloric Acid SCHEMBL22265304 0.83 SPHK2 (0.47) TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL22265303 0.83 SPHK2 (0.47) TLR9TLR8TLR7
SCHEMBL22280331 0.82 NR1H4 (0.49) NPC1RAB9ATLR9TLR8TLR7
SCHEMBL22280449 0.82 NR1H4 (0.44) TLR9TLR8TLR7NR1H4LMNA

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