SCHEMBL28087550

SCHEMBL28087550

COc1ccc(CNc2cc3ccccc3oc2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.61
ACHE P22303 1/20 0.61
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 3/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
EGFR P00533 1/20 0.49
IGF1R P08069 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL28087507 0.85 LMNA (0.60) MAOBACHEKMT2AMEN1LMNA
SCHEMBL28650599 0.85 MEN1 (0.66) MAOBKMT2AMEN1LMNAMAPK1
SCHEMBL31482350 0.84 NPC1 (0.59) MAOBACHEKMT2AMEN1LMNA
SCHEMBL6260303 0.76 LMNA (0.61) MAOBACHEKMT2AMEN1LMNA
SCHEMBL830092 0.73 GAA (0.53) MAOBACHEKMT2ANPC1RAB9A
SCHEMBL1370027 0.73 KMT2A (0.63) MAOBKMT2AMEN1LMNANPC1
SCHEMBL8363323 0.73 ALDH1A1 (0.60) MAOBACHEKMT2AMEN1LMNA
SCHEMBL28087485 0.73 LMNA (0.61) MAOBACHEKMT2AMEN1LMNA
SCHEMBL28688171 0.73 MAOB (0.63) MAOBACHEKMT2AMEN1LMNA
SCHEMBL18305555 0.72 KMT2A (0.53) MAOBACHEKMT2AMEN1NPC1

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