SCHEMBL172890

SCHEMBL172890

Cc1cc2oc3ccccc3c2cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.54
AHR P35869 2/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 2/20 0.44
CYP3A4 P08684 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
SCHEMBL9836819 0.86 MAOA (0.61) MAOAMEN1KMT2APOLBCTDSP1
SCHEMBL13672151 0.86 KDM4E (0.50) AHRMEN1KMT2APOLBCTDSP1
SCHEMBL172820 0.84 MAOA (0.61) MAOAAHRMEN1KMT2ACYP1A2
SCHEMBL3874960 0.84 AHR (0.59) MAOAAHRMEN1KMT2AHPGD
SCHEMBL24311391 0.81 MAOA (0.57) MAOAAHRMEN1KMT2ACYP1A2
SCHEMBL26768129 0.80 KDM4E (0.54) MAOAMEN1KMT2APOLBCTDSP1
SCHEMBL26767072 0.80 KDM4E (0.54) MAOAMEN1KMT2APOLBCTDSP1
SCHEMBL9837713 0.80 MAOA (0.61) MAOAMEN1KMT2AHPGDMAPT
SCHEMBL31145593 0.79 AHR (0.49) MAOAAHRMEN1KMT2ACYP1A2
SCHEMBL31192626 0.78 AHR (0.52) MAOAAHRMEN1KMT2APOLB

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
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 EP disclosed