SCHEMBL625266

SCHEMBL625266

COc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1C(=O)NCCCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HDAC3 O15379 1/20 0.48
EGFR P00533 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
IMPDH2 P12268 1/20 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
SCHEMBL10083535 0.86 DDX3X (0.49) MCHR1MAPTMEN1KMT2AHDAC3
SCHEMBL10083543 0.81 MCHR1 (0.47) MCHR1MCHR2GAAALOX15
SCHEMBL10083554 0.80 KMT2A (0.44) MCHR1MAPTALDH1A1KMT2AHDAC3
SCHEMBL12503486 0.79 KDM1A (0.40) MCHR1HDAC3HDAC1GAAHPGD
SCHEMBL624200 0.79 MCHR1 (0.61) MCHR1
SCHEMBL623943 0.78 MEN1 (0.51) MCHR1MAPTALDH1A1MEN1KMT2A
SCHEMBL624314 0.77 NPC1 (0.59) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL625028 0.77 DYRK1A (0.52) MCHR1MAPTALDH1A1MEN1KMT2A
SCHEMBL625245 0.77 MEN1 (0.58) MAPTMEN1KMT2AHDAC3HDAC1
SCHEMBL627332 0.76 MAPT (0.49) MCHR1MAPTALDH1A1MEN1KMT2A

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
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed