SCHEMBL8776574

SCHEMBL8776574

O=C1C(=C2Cc3ccccc3N2)Nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
PDK2 Q15119 1/20 0.50
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
HK1 P19367 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 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
SCHEMBL18601969 1.00 AHR (0.50) AHRPDK2MAOAMAOBMAPT
Indigo SCHEMBL29583322 0.78 MAOA (0.67) MAOAMAOBMAPTMEN1KMT2A
Indigo SCHEMBL29829264 0.78 MAOA (0.67) MAOAMAOBMAPTMEN1KMT2A
Indigo SCHEMBL42280 0.78 MAOA (0.67) MAOAMAOBMAPTMEN1KMT2A
Indigo SCHEMBL56085 0.78 MAOA (0.67) MAOAMAOBMAPTMEN1KMT2A
Indigo SCHEMBL320595 0.78 MAOA (0.67) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL30546617 0.77 AHR (0.50) AHRPDK2MAOAMAOBMAPT
SCHEMBL18497041 0.75 MAPT (0.60) AHRPDK2MAPTMEN1KMT2A
SCHEMBL18497040 0.75 MAPT (0.60) AHRPDK2MAPTMEN1KMT2A
SCHEMBL7746284 0.75 AHR (0.52) AHRPDK2MAOAMAOBMAPT

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
EP-0807294-A1 PHOTO-ERASABLE DATA PROCESSING FORMS Kimberly-Clark Worldwide, Inc. (US) 1997-11-19 EP disclosed
WO-1996019776-A1 PHOTO-ERASABLE DATA PROCESSING FORMS KIMBERLY-CLARK WORLDWIDE, INC. (US) 1996-06-27 WO disclosed