SCHEMBL13725686

SCHEMBL13725686

CCCC(=O)NC1=C/C(=N\c2ccc(N(CC)CCO)cc2C)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.38
TDP2 O95551 1/20 0.36
PAX8 Q06710 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MAPT P10636 9/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP14 P50281 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DNMT1 P26358 2/20 0.34
TERT O14746 1/20 0.34
GRK2 P25098 1/20 0.34

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
SCHEMBL13725181 0.81 KMT2A (0.37) MAPTMEN1KMT2APOLBNPC1
SCHEMBL14002163 0.79 NPSR1 (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13135025 0.76
SCHEMBL14074482 0.76 RPS6KA2 (0.35) MAPTMEN1KMT2APOLBNPC1
SCHEMBL13588341 0.76 MAPT (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14502520 0.76 MAPT (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL10000298 0.75 MAPT (0.35) MAPTMEN1KMT2APOLBNPC1
SCHEMBL13726088 0.74 MAPT (0.36) MAPTMEN1KMT2APOLBNPC1
SCHEMBL13588274 0.74 EBP (0.35) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL14484580 0.74 RPS6KA2 (0.40) MAPTMEN1KMT2APOLBNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486539-B1 Self-assembling dyes AGFA GRAPHICS NV (BE) 2009-08-26 EP disclosed
US-7355044-B2 Self-assembling dyes AGFA-GEVAERT N.V. (BE) 2008-04-08 US disclosed
US-7355044-B2 Self-assembling dyes AGFA-GEVAERT N.V. (BE) 2008-04-08 US disclosed