SCHEMBL28623265

SCHEMBL28623265

O=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])c(C#Cc3ccccc3)c2)cc1C#Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
PTGES O14684 1/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
CASP3 P42574 1/20 0.38
FFAR4 Q5NUL3 2/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MITF O75030 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL29643360 1.00 FFAR1 (0.40) FFAR1PTGESSENP8SENP7SENP6
SCHEMBL28623263 0.84 FFAR1 (0.44) FFAR1SENP8SENP7SENP6CASP3
SCHEMBL28626042 0.77 ATM (0.50) FFAR1SENP8SENP7SENP6CASP3
SCHEMBL28760470 0.77 TSHR (0.50) SENP8SENP7SENP6CASP3ALDH1A1
SCHEMBL28760471 0.76 AKR1C3 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2775290 0.75 CASP3 (0.51) SENP8SENP7SENP6CASP3GRM5
SCHEMBL15988986 0.74 CASP6 (0.57) MEN1KMT2AALDH1A1HSP90AA1MAPT
SCHEMBL31224728 0.72 L3MBTL1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30963302 0.72 PTGES (0.52) PTGESMEN1KMT2ANPC1RAB9A
SCHEMBL17403305 0.72 NR4A2 (0.54) MEN1KMT2ARAB9AALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113429424-B Preparation method of [1,2,4] oxadiazino indoline-3-ketone derivative 华侨大学 2022-06-07 CN claimed
CN-113429424-A Preparation method of [1,2,4] oxadiazino indoline-3-ketone derivative 华侨大学 2021-09-24 CN claimed
CN-113429424-B Preparation method of [1,2,4] oxadiazino indoline-3-ketone derivative 华侨大学 2022-06-07 CN disclosed
CN-113429424-A Preparation method of [1,2,4] oxadiazino indoline-3-ketone derivative 华侨大学 2021-09-24 CN disclosed