SCHEMBL12288558

SCHEMBL12288558

CNCC(C(N)=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CNR2 P34972 1/20 0.40
EPHX1 P07099 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL2739002 0.84 ESR1 (0.42) HTTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL12167830 0.83 ADRB2 (0.48) HTTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL10112582 0.83 HTT (0.42) HTTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL27287022 0.82 EPHX1 (0.58) EPHX1SLC6A2SLC6A4
SCHEMBL683618 0.81 HTT (0.40) HTTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL10258493 0.81 HTT (0.43) HTTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL5910306 0.80 KCNQ2 (0.44) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL681167 0.80 LMNA (0.40) HTTALDH1A1KDM4EHDAC3HDAC4
SCHEMBL15434306 0.78 EPHX1 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15434362 0.78 EPHX1 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed