SCHEMBL3455782

SCHEMBL3455782

NN(C(=O)c1[nH]nc2c1CCN(C(=O)O)C2)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
EP300 Q09472 1/20 0.34
BCL2 P10415 1/20 0.33
BAD Q92934 1/20 0.33
P2RX7 Q99572 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NLRP3 Q96P20 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM5 P41594 1/20 0.32
SRD5A2 P31213 1/20 0.31
F12 P00748 1/20 0.31
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3457619 0.85 MEN1 (0.35) BCL2BADP2RX7MEN1KMT2A
SCHEMBL5072629 0.78 KDM4E (0.32) BRD4CREBBPEP300P2RX7MEN1
SCHEMBL3455780 0.75 HDAC1 (0.42)
SCHEMBL28460855 0.72 P2RX7 (0.31) BRD4CREBBPEP300P2RX7F12
SCHEMBL3457616 0.67 EP300 (0.31) CREBBPEP300
SCHEMBL22719403 0.67 MTHFD2 (0.33) BRD4CREBBPEP300MEN1KMT2A
SCHEMBL22126903 0.66 BRD4 (0.31) BRD4CREBBPEP300
SCHEMBL23856215 0.65 GAA (0.49) MEN1KMT2AGAACYP2C9ALDH1A1
SCHEMBL21855451 0.64 DPP4 (0.35) BRD4CREBBPEP300
SCHEMBL22069152 0.64

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
EP-1646632-A2 SUBSTITUTED TETRAHYDRO-1 I H /I -PYRAZOLO 3,4-C|PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE Aventis Pharma S.A. (FR) 2006-04-19 EP disclosed
WO-2005007653-A2 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINES, COMPOSITIONS CONTAINING SAME AND USE AVENTIS PHARMA S.A. (FR) 2005-01-27 WO disclosed