SCHEMBL8748446

SCHEMBL8748446

COc1ccc(NCc2ccc(C)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
GAA P10253 4/20 0.52
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ESR2 Q92731 1/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46

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
SCHEMBL8748209 0.82 CHRM2 (0.49) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL8748288 0.80 MAPT (0.55) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL30844035 0.79 NPC1 (0.51) MAPTGAARAB9ANPC1KMT2A
SCHEMBL8748534 0.76 MAPK1 (0.51) MAPTGAANPC1KMT2AMEN1
SCHEMBL18164419 0.76 CHRM2 (0.46) MAPTGAARAB9ANPC1KMT2A
SCHEMBL4504077 0.74 ALDH1A1 (0.54) MAPTRAB9AKMT2AMEN1KDM4E
SCHEMBL31744573 0.73 EGFR (0.64) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL24400970 0.72 MAPT (0.57) MAPTRAB9ANPC1KDM4EESR2
SCHEMBL1844199 0.72 MAPT (0.82) MAPTGAARAB9AL3MBTL1NPC1
SCHEMBL5669873 0.72 MAPT (0.82) MAPTGAARAB9AL3MBTL1NPC1

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-108250165-B Method for preparing N- (5-methylfurfuryl) aniline and derivatives by using biomass carbohydrate 南昌大学 2021-03-26 CN disclosed
EP-0761214-A2 N,N-disubstituted anilines or alkylamines as singlet oxygen quenchers, topical compositions comprising them KAO CORPORATION (JP) 1997-03-12 EP disclosed