SCHEMBL5132500

SCHEMBL5132500

COc1cc(NCc2ccccc2)c(OC)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HTR6 P50406 1/20 0.50
MAPT P10636 6/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
NCF1 P14598 1/20 0.45
PDGFRB P09619 2/20 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
SCHEMBL11761078 0.88 HDAC1 (0.47) HDAC1HDAC8HDAC6HTR6MAPT
SCHEMBL10807842 0.82 ALDH1A1 (0.45) HDAC1HDAC8HDAC6HTR6MAPT
SCHEMBL6555026 0.81 HDAC8 (0.59) HDAC1HDAC8HDAC6HTR6MAPT
SCHEMBL22474180 0.81 MEN1 (0.57) HDAC1HDAC8HDAC6MAPTKMT2A
SCHEMBL6816299 0.81 MAPT (0.51) HDAC1HDAC8HDAC6HTR6MAPT
SCHEMBL14243556 0.78 HDAC1 (0.53) HDAC1MAPTHTTALDH1A1PDGFRB
SCHEMBL11693812 0.78 HDAC1 (0.53) HDAC1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL2877032 0.76 GBA1 (0.57) HDAC1HDAC8HDAC6HTR6MAPT
SCHEMBL30691740 0.76 HDAC8 (0.60) HDAC1HDAC8HDAC6HTR6MAPT
SCHEMBL11010923 0.76 MAPT (0.63) HDAC1HDAC8HDAC6HTR6MAPT

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
US-20080113888-A1 LUBRICATING OIL ADDITIVE COMPOSITION AND METHOD OF MAKING THE SAME CHEVRON ORONITE COMPANY LLC 2008-05-15 US claimed