SCHEMBL623623

SCHEMBL623623

NCCCNC(=O)c1cncc(NC(=O)Nc2cccc3cccnc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.50
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
ABL1 P00519 2/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
MECP2 P51608 1/20 0.47
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46

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
SCHEMBL625053 0.89 MEN1 (0.58) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL624171 0.87 HDAC6 (0.64) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL623869 0.82 NPC1 (0.59) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL625245 0.78 MEN1 (0.58) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL623924 0.75 ABL1 (0.56) KDRMAPTHTTABL1EGFR
SCHEMBL627181 0.74 ROCK2 (0.54) MAPK1NPC1RAB9A
SCHEMBL10083553 0.74 KDM4E (0.51) MEN1KMT2ASMN1; SMN2HTTABL1
SCHEMBL9390447 0.74 MEN1 (0.77) KDRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28877702 0.73 HDAC1 (0.59) MEN1KMT2AMAPTSMN1; SMN2HDAC6
SCHEMBL29973589 0.73 HDAC1 (0.59) MEN1KMT2AMAPTSMN1; SMN2HDAC6

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