SCHEMBL29802254

SCHEMBL29802254

O=C(Nc1ccc2ncoc2c1)Nc1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.72
NPC1 O15118 10/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
POLB P06746 5/20 0.65
CASP3 P42574 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
MAPT P10636 7/20 0.52
LMNA P02545 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 2/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR1I2 O75469 1/20 0.51
HTT P42858 2/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL26932346 1.00 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29802405 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26932331 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29802302 0.83 NPC1 (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26932335 0.83 NPC1 (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29802136 0.82 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26932212 0.82 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29802081 0.82 NPC1 (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29802124 0.82 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL26932276 0.82 NPC1 (0.67) RAB9ANPC1SMN1; 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 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