SCHEMBL29802405

SCHEMBL29802405

Cc1ccccc1NC(=O)Nc1ccc2ncoc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
NPC1 O15118 8/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
DDX3X O00571 3/20 0.58
IMPDH2 P12268 2/20 0.52
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KDR P35968 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL26932331 1.00 RAB9A (0.72) RAB9ANPC1SMN1; SMN2DDX3XIMPDH2
SCHEMBL29802254 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL26932346 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL26932304 0.84 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL29802124 0.84 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL29802244 0.83 RAB9A (0.77) RAB9ANPC1SMN1; SMN2IMPDH2MAPT
SCHEMBL26932197 0.83 RAB9A (0.77) RAB9ANPC1SMN1; SMN2IMPDH2MAPT
SCHEMBL29802208 0.82 SMN1; SMN2 (0.76) RAB9ANPC1SMN1; SMN2IMPDH2KMT2A
SCHEMBL26932329 0.82 SMN1; SMN2 (0.76) RAB9ANPC1SMN1; SMN2IMPDH2KMT2A
SCHEMBL29802081 0.82 NPC1 (0.67) RAB9ANPC1SMN1; SMN2DDX3XKMT2A

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
CN-114805236-B Benzoxazole derivative and preparation method and application thereof 苏州大学 2024-02-23 CN disclosed
CN-114805236-A Benzoxazole derivative and preparation method and application thereof 苏州大学 2022-07-29 CN disclosed