SCHEMBL17477398

SCHEMBL17477398

CCCC(C)(NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CNR2 P34972 3/20 0.47
HPGD P15428 3/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28418464 0.91 CNR2 (0.51) POLBMEN1KMT2AHDAC8HDAC6
SCHEMBL6180128 0.81 ITGB1 (0.56) MEN1KMT2AHPGD
SCHEMBL9828810 0.78 SHMT1 (0.61) MEN1KMT2AHDAC8HDAC6CNR2
SCHEMBL10986259 0.78 MEN1 (0.59) MEN1KMT2AHDAC8HDAC6CNR2
SCHEMBL12471403 0.78 POLB (0.54) POLBHDAC8HDAC6L3MBTL1GAA
SCHEMBL7398855 0.78 RIPK1 (0.49) POLBEPHX2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL20255827 0.77 KDM4E (0.62) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL25144167 0.77 HPGD (0.56) POLBMEN1KMT2AHDAC8HDAC6
SCHEMBL10982724 0.77 HPGD (0.75) POLBMEN1KMT2AHDAC8HDAC6
SCHEMBL25595163 0.76 CNR2 (0.51) POLBMEN1KMT2AHDAC8HDAC6

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-3186271-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS Vida Therapeutics, Inc. (CA) 2017-07-05 EP disclosed
WO-2016015159-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2016-02-04 WO disclosed