SCHEMBL7294990

SCHEMBL7294990

CC(=O)N1CCN(c2nc(C)c(-c3ccccc3)cc2C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
MAPK1 P28482 1/20 0.51
CNR2 P34972 2/20 0.50
P2RY12 Q9H244 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CNR1 P21554 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
NPY5R Q15761 1/20 0.48
SMO Q99835 1/20 0.48

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
SCHEMBL7292529 0.90 CFTR (0.52) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21561088 0.82 KMT2A (0.60) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7282590 0.81 KDM4E (0.57) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7291236 0.81 CYP1A2 (0.54) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7296121 0.80 CYP1A2 (0.53) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL23571100 0.78 KMT2A (0.55) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15900575 0.74 KDM4E (0.52) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL15900545 0.73 IDH1 (0.59) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
Fumaric Acid SCHEMBL7483707 0.72 ALDH1A1 (0.53) RXFP1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL3453740 0.72 CYP1A2 (0.42) RXFP1KMT2AMEN1L3MBTL1ALDH1A1

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
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 EP disclosed