SCHEMBL29802252

SCHEMBL29802252

Cc1ccccc1NC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.69
SENP8 Q96LD8 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SENP6 Q9GZR1 1/20 0.69
NAMPT P43490 1/20 0.60
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
HSD17B10 Q99714 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
POLB P06746 3/20 0.56
DDX3X O00571 1/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
IMPDH2 P12268 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
SCHEMBL26932287 1.00 CASP3 (0.69) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802221 0.87 CASP3 (0.73) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932280 0.87 CASP3 (0.73) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802127 0.86 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932246 0.86 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802113 0.86 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932203 0.86 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802104 0.85 CASP3 (0.70) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932215 0.85 CASP3 (0.70) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802413 0.84 CASP3 (0.61) CASP3SENP8SENP7SENP6NAMPT

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