SCHEMBL29802124

SCHEMBL29802124

COc1ccccc1NC(=O)Nc1ccc2ncoc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.67
RAB9A P51151 9/20 0.67
NPC1 O15118 7/20 0.67
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 8/20 0.57
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
GLA P06280 1/20 0.55
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AHR P35869 1/20 0.52
PDGFRA P16234 1/20 0.52
KDR P35968 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL26932304 1.00 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL29802405 0.84 RAB9A (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL26932331 0.84 RAB9A (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL26932347 0.83 NPC1 (0.70) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL29802119 0.83 NPC1 (0.70) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL26932346 0.82 RAB9A (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL29802254 0.82 RAB9A (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL29802293 0.82 RAB9A (0.71) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL26932219 0.82 RAB9A (0.71) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL29802081 0.79 NPC1 (0.67) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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