SCHEMBL11724806

SCHEMBL11724806

O=C(Nc1ccccc1)Nc1nc2ccc(O)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 11/20 1.00
DYRK1B Q9Y463 4/20 1.00
NPC1 O15118 4/20 0.72
MAPT P10636 4/20 0.72
RAB9A P51151 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
NFKB1 P19838 2/20 0.72
NFKB2 Q00653 2/20 0.72
RELA Q04206 2/20 0.72
GAA P10253 1/20 0.72
SNCA P37840 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.70
POLB P06746 2/20 0.70
LMNA P02545 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HSD17B10 Q99714 1/20 0.68
USP2 O75604 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
LCK P06239 1/20 0.64

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
SCHEMBL22905 0.91 DYRK1A (1.00) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL4124786 0.85 DYRK1A (0.74) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL18824277 0.85 DYRK1A (0.74) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL17001367 0.85 DYRK1A (0.74) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL1143751 0.84 NPC1 (1.00) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL11728977 0.84 NPC1 (0.73) DYRK1ADYRK1BNPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL28640786 0.83 NPC1 (0.97) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL544349 0.83 DYRK1A (0.75) DYRK1ADYRK1BHSD17B10HSD17B1HSD17B2
SCHEMBL29788 0.82 HSD17B1 (0.82) DYRK1ADYRK1BNPC1MAPTRAB9A
SCHEMBL23256870 0.82 DYRK1A (0.70) DYRK1ADYRK1BNPC1MAPTRAB9A

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
US-4046770-A IMMUNE REGULANTS ELI LILLY AND COMPANY (US) 1977-09-06 US disclosed