SCHEMBL29802134

SCHEMBL29802134

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nc(-c3ccccc3)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
MAPT P10636 4/20 0.60
RAB9A P51151 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 1/20 0.60
NAMPT P43490 1/20 0.58
GRIK1 P39086 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TP53 P04637 2/20 0.55
P2RY14 Q15391 2/20 0.55
ALDH1A1 P00352 2/20 0.54
PTPN2 P17706 2/20 0.54
PTPN1 P18031 2/20 0.54

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
SCHEMBL26932292 1.00 CASP3 (0.63) CASP3SENP8SENP7SENP6MAPT
SCHEMBL26932181 0.91 CASP3 (0.65) CASP3SENP8SENP7SENP6MAPT
SCHEMBL29802515 0.91 CASP3 (0.65) CASP3SENP8SENP7SENP6MAPT
SCHEMBL26932351 0.84 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL29802413 0.84 CASP3 (0.61) CASP3SENP8SENP7SENP6MAPT
SCHEMBL29802321 0.83 CASP3 (0.67) CASP3SENP8SENP7SENP6MAPT
SCHEMBL26932215 0.83 CASP3 (0.70) CASP3SENP8SENP7SENP6MAPT
SCHEMBL26932174 0.83 CASP3 (0.67) CASP3SENP8SENP7SENP6MAPT
SCHEMBL29802104 0.83 CASP3 (0.70) CASP3SENP8SENP7SENP6MAPT
SCHEMBL29802090 0.83 CASP3 (0.70) CASP3SENP8SENP7SENP6MAPT

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