SCHEMBL22307346

SCHEMBL22307346

Cn1nc(-c2cccc(-c3nc(-c4ccccc4)n(C)n3)c2)nc1-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 6/20 0.82
NR1H2 P55055 5/20 0.82
NPC1 O15118 1/20 0.82
RAB9A P51151 1/20 0.82
HSD17B2 P37059 1/20 0.67
KDM4C Q9H3R0 2/20 0.57
TDP2 O95551 2/20 0.49
RAF1 P04049 1/20 0.49
MAP2K1 Q02750 1/20 0.49
TMEM97 Q5BJF2 1/20 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
SCHEMBL19195939 0.96 NR1H3 (0.77) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL25599752 0.93 NR1H2 (0.71) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL17279740 0.93 NR1H3 (0.82) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL822566 0.90 NR1H3 (1.00) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL17336887 0.89 NR1H3 (0.70) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL17336680 0.87 NR1H2 (0.62) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL11590621 0.82 NR1H3 (0.83) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL19195875 0.82 NR1H2 (0.56) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL11555265 0.81 NR1H3 (1.00) NR1H3NR1H2NPC1RAB9AHSD17B2
SCHEMBL11556260 0.79 NR1H3 (0.71) NR1H3NR1H2NPC1RAB9AHSD17B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875525-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL KONICA MINOLTA, INC. (JP) 2021-09-08 EP disclosed
WO-2020158647-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL コニカミノルタ株式会社 2020-08-06 WO disclosed