SCHEMBL25675487

SCHEMBL25675487

COC(=O)Nc1cc(OCc2ccccc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RIOK2 Q9BVS4 3/20 0.53
GSK3A P49840 1/20 0.50
MAPK10 P53779 1/20 0.50
GCK P35557 1/20 0.50
MAOB P27338 3/20 0.48
ALDH1A1 P00352 1/20 0.47
NR4A2 P43354 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
PTGER1 P34995 1/20 0.46
NR3C2 P08235 2/20 0.46
SMPD1 P17405 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL24008033 0.88 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23795585 0.88 MEN1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL26697665 0.87 MEN1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29888248 0.87 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1193099 0.87 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25595329 0.85 KMT2A (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14156878 0.84 RIOK2 (0.66) RAB9ASMN1; SMN2MEN1KMT2ARIOK2
SCHEMBL24007671 0.84 MAPK10 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25600762 0.83 MEN1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL25595258 0.83 RIOK2 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed