SCHEMBL8370523

SCHEMBL8370523

O=C1C=C(NCCN2CCCCC2)C(=O)c2nc(-c3ccco3)c(-c3ccco3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.51
MALT1 Q9UDY8 2/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
ACP1 P24666 1/20 0.42
BLM P54132 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ADORA2A P29274 3/20 0.39
POLB P06746 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
SCHEMBL8368881 0.99 S100A4 (0.49) S100A4MALT1MAPTALDH1A1ACP1
SCHEMBL8368796 0.93 S100A4 (0.58) S100A4MALT1MAPTALDH1A1ACP1
SCHEMBL1917262 0.85 S100A4 (0.45) S100A4MALT1MAPTALDH1A1ACP1
SCHEMBL1918660 0.83 S100A4 (0.45) S100A4MALT1MAPTALDH1A1ACP1
SCHEMBL8367269 0.81 MALT1 (0.60) S100A4MALT1ALDH1A1LMNAMEN1
SCHEMBL8368655 0.77 MALT1 (0.41) S100A4MALT1MAPTALDH1A1BLM
SCHEMBL8369483 0.76 S100A4 (0.61) S100A4MALT1MAPTBLML3MBTL1
SCHEMBL8368658 0.76 S100A4 (0.44) S100A4MALT1MAPTALDH1A1BLM
SCHEMBL8370510 0.75 S100A4 (0.46) S100A4MAPTALDH1A1BLML3MBTL1
SCHEMBL8367439 0.75 NLRP3 (0.40) MALT1BLMMEN1KMT2AHSD17B10

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-1999052365-A1 ANTICANCER AGENTS ELI LILLY AND COMPANY (US) 1999-10-21 WO disclosed