SCHEMBL28406907

SCHEMBL28406907

O=C(C=NO)Nc1cc(F)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.39
EGFR P00533 2/20 0.38
MAPT P10636 3/20 0.37
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
BCHE P06276 1/20 0.34
HTT P42858 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
SCHEMBL17265688 0.84 MAPK1 (0.48) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL17265687 0.84 MAPK1 (0.48) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL31184810 0.83 MAPK1 (0.54) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL21563188 0.81 MEN1 (0.49) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL21550966 0.81 MEN1 (0.49) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL21550965 0.81 MEN1 (0.49) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL30099261 0.81 MEN1 (0.49) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL29851229 0.81 MEN1 (0.49) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL16277503 0.81 KMT2A (0.57) MEN1KMT2AMAPK1CYP1A2NPSR1
SCHEMBL16277504 0.81 KMT2A (0.57) MEN1KMT2AMAPK1CYP1A2NPSR1

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-111039845-A Preparation method of 4-fluoro-7-bromoisatin 大连奇凯医药科技有限公司 2020-04-21 CN claimed
CN-111039845-A Preparation method of 4-fluoro-7-bromoisatin 大连奇凯医药科技有限公司 2020-04-21 CN disclosed