SCHEMBL29802413

SCHEMBL29802413

O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
NAMPT P43490 1/20 0.59
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
DDX3X O00571 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
POLB P06746 3/20 0.50
PTPN2 P17706 3/20 0.50
PTPN1 P18031 3/20 0.50

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
SCHEMBL26932351 1.00 CASP3 (0.61) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802515 0.86 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932181 0.86 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802134 0.84 CASP3 (0.63) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932292 0.84 CASP3 (0.63) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802252 0.84 CASP3 (0.69) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802127 0.84 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932246 0.84 CASP3 (0.65) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL26932287 0.84 CASP3 (0.69) CASP3SENP8SENP7SENP6NAMPT
SCHEMBL29802090 0.82 CASP3 (0.70) 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