SCHEMBL625899

SCHEMBL625899

NCCCNC(=O)c1cncc(NC(=O)Nc2nc3c(s2)CCC3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
LMNA P02545 8/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 10/20 0.46
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
HTT P42858 2/20 0.45
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
TMIGD3 P0DMS9 1/20 0.40
ADORA1 P30542 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 2/20 0.39
GFER P55789 2/20 0.39

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
SCHEMBL624357 0.78 RAB9A (0.51) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL625756 0.74 CHRM4 (0.52) MAPTLMNAPOLBTP53NPC1
SCHEMBL10083553 0.73 KDM4E (0.51) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL627181 0.72 ROCK2 (0.54) NPC1RAB9ATMIGD3ADORA1MAPK1
SCHEMBL623932 0.72 RAB9A (0.59) MAPTPOLBNPC1RAB9AKMT2A
SCHEMBL623623 0.70 KDR (0.53) MAPTPOLBTP53NPC1RAB9A
SCHEMBL625959 0.69 HDAC6 (0.46) LMNAPOLBTP53NPC1RAB9A
SCHEMBL10084313 0.66 MEN1 (0.34) MAPTPOLBRAB9AMEN1KMT2A
SCHEMBL623924 0.66 ABL1 (0.56) MAPTALDH1A1HTTMAPK1
SCHEMBL624210 0.65 MAPK8 (0.39) MAPTLMNAPOLBMEN1KMT2A

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