SCHEMBL29239279

SCHEMBL29239279

O=c1oc2ccccc2cc1NCc1ccc(Br)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 3/20 0.47
MAOB P27338 12/20 0.46
ACHE P22303 3/20 0.46
MAOA P21397 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 3/20 0.42
PKM P14618 2/20 0.42
TP53 P04637 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL28087485 0.79 LMNA (0.61) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL28087551 0.76 MEN1 (0.71) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL28650599 0.74 MEN1 (0.66) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL6260303 0.71 LMNA (0.61) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL28087507 0.70 LMNA (0.60) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL30339822 0.70 ALOX12 (0.49) MEN1KMT2AMAOBSMN1; SMN2KDM4E
SCHEMBL3046337 0.68 MAOB (0.61) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL4077096 0.68 LMNA (0.57) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL28087550 0.68 MAOB (0.61) MEN1KMT2ALMNAMAPK1NPC1
SCHEMBL3082095 0.67 MAOB (0.63) LMNANPC1MAOBACHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005590-A Coumarin Schiff base derivative and preparation method and application thereof 新疆农业大学 2024-05-10 CN disclosed