SCHEMBL28087485

SCHEMBL28087485

O=c1oc2ccccc2cc1NCc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 1/20 0.61
MAOB P27338 12/20 0.51
ACHE P22303 3/20 0.51
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAOA P21397 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 3/20 0.48
PKM P14618 2/20 0.48
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL28650599 0.81 MEN1 (0.66) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL29239279 0.79 MEN1 (0.60) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL6260303 0.77 LMNA (0.61) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL28087507 0.76 LMNA (0.60) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL28087551 0.76 MEN1 (0.71) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL3046337 0.74 MAOB (0.61) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL4077096 0.74 LMNA (0.57) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL28087550 0.73 MAOB (0.61) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL28682554 0.72 MAOB (0.60) LMNAMEN1KMT2AMAPK1MAOB
SCHEMBL3082095 0.72 MAOB (0.63) LMNAMAOBACHENPC1SMN1; SMN2

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-105837544-B A kind of organic nitrine synthesizes the new method of the ketones derivant of 3 amino chromene 2 with cumarin 广西师范大学 2018-01-30 CN disclosed
CN-105837544-A Novel method for synthesizing 3-aminobenzopyran-2-ketone derivative using organic azide and coumarin 广西师范大学 2016-08-10 CN disclosed