SCHEMBL9008416

SCHEMBL9008416

CCOC(CCCNc1nc(NCCO)nc(NCCCC(OCC)OCC)n1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.50
KMT2A Q03164 2/20 0.49
GBA1 P04062 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH3 Q9ULD8 2/20 0.36
EPHX1 P07099 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FLT3 P36888 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
SCHEMBL9008390 0.92 SLC29A1 (0.38) SLC29A1KMT2AGBA1MAPTLMNA
SCHEMBL9008414 0.84 HTR7 (0.39) KMT2AMEN1MAPK1MAPTHPGD
SCHEMBL9008403 0.81 TLR8 (0.39) KMT2AMEN1MAPK1MAPTHPGD
SCHEMBL9913748 0.75 SLC29A1 (0.73) SLC29A1KMT2AGBA1MEN1GAA
SCHEMBL2783134 0.75 SLC29A1 (0.73) SLC29A1KMT2AGBA1MEN1GAA
SCHEMBL6575691 0.73 KCNH3 (0.39) SLC29A1KMT2AGBA1KCNH3
SCHEMBL1032510 0.72 KMT2A (0.60) SLC29A1KMT2AGBA1MEN1GAA
SCHEMBL1146478 0.70 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1LMNATHRB
SCHEMBL5705793 0.68 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1LMNATHRB
SCHEMBL25246118 0.68 KDM4E (0.47) TDP1

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
EP-0738719-A1 Formaldehyde-free crosslinkers for lacquer binding agents Vianova Resins GmbH (DE) 1996-10-23 EP disclosed