SCHEMBL12970331

SCHEMBL12970331

COc1cc2ccccc2nc1-c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TLR8 Q9NR97 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
AR P10275 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
PDE10A Q9Y233 1/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL31529366 0.87 L3MBTL1 (0.61) POLBTLR8L3MBTL1ALDH1A1KDM4E
SCHEMBL10641295 0.87 L3MBTL1 (0.61) POLBTLR8L3MBTL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9847504 0.86 L3MBTL1 (0.60) POLBMEN1KMT2ATLR8L3MBTL1
SCHEMBL12970102 0.84 TLR8 (0.49) POLBMEN1KMT2ATLR8L3MBTL1
SCHEMBL9590284 0.83 TLR8 (0.67) POLBMEN1KMT2ATLR8L3MBTL1
SCHEMBL9590301 0.81 TLR8 (0.56) POLBMEN1KMT2ATLR8L3MBTL1
SCHEMBL12970154 0.79 PDE10A (0.74) MEN1KMT2AALDH1A1KDM4EAR
SCHEMBL12402675 0.76 KDM4E (0.63) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4260071 0.76 PDGFRB (0.55) POLBMEN1KMT2ATLR8L3MBTL1
SCHEMBL29207060 0.75 KDM4E (0.60) TLR8L3MBTL1ALDH1A1KDM4ESMN1; SMN2

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
WO-2012133607-A1 PYRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2012-10-04 WO disclosed