SCHEMBL22280438

SCHEMBL22280438

Cc1ccc(-c2noc(C3CNC3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
GRM5 P41594 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48

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
SCHEMBL22280323 0.88 NPC1 (0.66) NPC1RAB9ALMNAHTTGRM5
SCHEMBL22280324 0.88 NPC1 (0.66) NPC1RAB9ALMNAHTTGRM5
SCHEMBL22280269 0.86 RAB9A (0.71) NPC1RAB9ALMNAHTTGRM5
SCHEMBL22280325 0.86 RAB9A (0.71) NPC1RAB9ALMNAHTTGRM5
SCHEMBL12188551 0.85 NPC1 (0.85) NPC1RAB9ALMNAHTTGRM5
Hydrochloric Acid SCHEMBL193440 0.85 RAB9A (0.69) NPC1RAB9ALMNAHTTGRM5
Hydrochloric Acid SCHEMBL193439 0.85 RAB9A (0.69) NPC1RAB9ALMNAHTTGRM5
SCHEMBL4416033 0.85 NPC1 (0.74) NPC1RAB9ALMNAHTTGRM5
SCHEMBL25433735 0.84 MAPT (0.54) NPC1RAB9ALMNAHTTNR1H4
Hydrochloric Acid SCHEMBL7551864 0.84 NPC1 (0.72) NPC1RAB9ALMNAHTTGRM5

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