SCHEMBL625053

SCHEMBL625053

NCCCNC(=O)c1cccc(NC(=O)Nc2cccc3cccnc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TRPV1 Q8NER1 1/20 0.53
HDAC6 Q9UBN7 5/20 0.52
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
ABL1 P00519 2/20 0.52
EGFR P00533 1/20 0.52
SRC P12931 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDR P35968 2/20 0.50
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
MECP2 P51608 1/20 0.49

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
SCHEMBL624171 0.90 HDAC6 (0.64) MEN1KMT2AMAPTSMN1; SMN2TRPV1
SCHEMBL623623 0.89 KDR (0.53) MEN1KMT2AMAPTSMN1; SMN2TRPV1
SCHEMBL623869 0.86 NPC1 (0.59) MEN1KMT2AMAPTSMN1; SMN2HDAC6
SCHEMBL625245 0.82 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2TRPV1
SCHEMBL625381 0.76 ADORA3 (0.62) MEN1KMT2AMAPTSMN1; SMN2ABL1
SCHEMBL29973589 0.75 HDAC1 (0.59) MEN1KMT2AMAPTSMN1; SMN2HDAC6
SCHEMBL28877702 0.75 HDAC1 (0.59) MEN1KMT2AMAPTSMN1; SMN2HDAC6
SCHEMBL10083551 0.75 PAX8 (0.52) MEN1KMT2ASMN1; SMN2ABL1EGFR
SCHEMBL8623427 0.74 EPHX2 (0.59) MEN1KMT2AMAPTSMN1; SMN2ABL1
SCHEMBL16151772 0.71 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2HDAC6HDAC3HDAC1

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